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Subject: Chemistry
,
Working Paper
, Title:

Fatty Acid Fueled Transmembrane Chloride Transport

, Authors: Ethan N.W. Howe, Philip Gale
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.6823352.v3
 
Subject: Chemistry
,
Working Paper
, Title:

Adsorption of Fibrinogen and Fibronectin on Elastomeric Poly(butylene Succinate) Copolyesters

, Authors: Peter Sobolewski, N. Sanjeeva Murthy, Joachim Kohn, Miroslawa El Fray
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.7976942.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Three-Dimensional Printing of Proteinaceous Structures by Aqueous Solvent-Directed Molecular Assembly

, Authors: Xuan Mu, Yu Wang, Chengchen Guo, Yamin Li, Shengjie Ling, Wenwen Huang, Peggy Cebe, Huan-Hsuan Hsu, Fabio De Ferrari, Xiaocheng Jiang, Qiaobing Xu, Alessandra Balduini, Fiorenzo G. Omenetto, David L. Kaplan
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8206469.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantitative Amplitude- and Phase- Contrast Plasmonic Microscopy with High Spatial Resolution

, Authors: Yuting Yang, Chunhui Zhai, Ab Lateef Khan, Hui Yu
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8208602.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Surface Co-Presentation of BMP-2 and Integrin Selective Ligands at the Nanoscale Favors β1 Integrin Adhesion

, Authors: Francesca Posa, Elisabeth Baha-Schwab, Qiang Wei, Adriana Di Benedetto, Stefanie Neubauer, Horst Kessler, Joachim P. Spatz, Corinne Albigès-Rizo, Giorgio Mori, Ada Cavalcanti
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8209349.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electrically Enhanced Hydrogen Adsorption in Metal-Organic Frameworks

, Authors: Liviu Zarbo, Marius Oancea, Emmanuel Klontzas, Emmanuel Tylianakis, Ioana G. Grosu, George E. Froudakis
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8209304.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electronic Properties of Graphene-ZnO Interface: A Density Functional Theory Investigation

, Authors: Maryam Fathzadeh, Hamoon Fahrvandi, Ebrahim Nadimi
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8214425.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A New Four-Parameter Cubic Equation of State for Predicting Fluid Phase Behavior

, Authors: zhiren he
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8215715.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design from Molecular Dynamics and Machine Learning

, Authors: Mariarosaria Ferraro, Sergio Decherchi, Alessio De Simone, Maurizio Recanatini, Andrea Cavalli, Giovanni Bottegoni
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8216060.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Optical Control of Small Molecule-Induced Protein Degradation

, Authors: Yuta Naro, Kristie Darrah, Alexander Deiters
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.26434/chemrxiv.8216714.v1
 
Subject: Politics and International Relations
,
Presentation
, Title:

Rethinking the Undergraduate Political Science Major: The Wahlke Report Revisited

, Authors: Steven Rathgeb Smith, Meghan McConaughey
Version undefined posted 03 June 2019
Posted
Jun 03, 2019
10.33774/apsa-2019-wjhvx
 
Subject: Chemistry
,
Working Paper
, Title:

Rational Engineering of Hydratase from Lactobacillus Acidophilus Reveals Critical Residues Directing Substrate Specificity and Regioselectivity

, Authors: Bekir Engin Eser, Michal Poborsky, Rongrong Dai, Shigenobu Kishino, Anita Ljubic, Michiki Takeuchi, Charlotte Jacobsen, Jun Ogawa, Peter Kristensen, Zheng Guo
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8217326.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Thermodynamic Stability of Hexagonal and Rhombohedral Bn at Cvd Conditions from Van der Waals Corrected First Principles Calculations

, Authors: Henrik Pedersen, Björn Alling, Hans Högberg, Annop Ektarawong
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8052218.v3
 
Subject: Chemistry
,
Working Paper
, Title:

A Surface Inhibiting Effect in Chemical Vapor Deposition of Boron-Carbon Thin Films from Trimethylboron

, Authors: Laurent Souqui, Hans Högberg, Henrik Pedersen
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.7663109.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Functionalized Titanium Oxide Nanowire Substrate for Surface-Assisted Laser Desorption/ionization Imaging Mass Spectrometry

, Authors: Ewelina P. Dutkiewicz, Han-Jung Lee, Cheng-Chih Hsu, Yu-Liang Yang
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8217479.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Insights into Non-Covalent Interactions with a Machine-Learned Electron Density

, Authors: Alberto Fabrizio, Andrea Grisafi, Benjamin Meyer, Michele Ceriotti, Clemence Corminboeuf
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8217929.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Short-Range Ordering in Battery Electrode, the ‘Cation-Disordered’ Rocksalt Li1.25Nb0.25Mn0.5O2

, Authors: Michael Jones, Philip J. Reeves, Ieuan D. Seymour, Matthew J. Cliffe, Siân E. Dutton, Clare P. Grey
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8218004.v1
 
Subject: Chemistry
,
Working Paper
, Title:

RISC and Dense Fingerprints

, Authors: Andrew Dalke
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8218517.v1
 
Subject: Chemistry
,
Working Paper
, Title:

BODIPY Fluorophores for Membrane Potential Imaging

, Authors: Jenna Franke, Benjamin Raliski, Steven Boggess, Divya Natesan, Evan Koretsky, Patrick Zhang, Rishikesh Kulkarni, Parker Deal, Evan Miller
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8219057.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Formazanate Complexes of Bis-Cyclometalated Iridium

, Authors: Evanta Kabir, Ge Mu, David A. Momtaz, Noah A. Bryce, Thomas Teets
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8220722.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Atropselective Disposition of 2,2',3,4',6-Pentachlorobiphenyl (PCB 91) and Identification of Its Metabolites in Mice with Liver-specific Deletion of Cytochrome P450 Reductase

, Authors: Xianai Wu, Guangshu Zhai, Jerald L. Schnoor, Hans-Joachim Lehmler
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8220599.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Path-Augmented Graph Transformer Network

, Authors: Benson Chen, Regina Barzilay, Tommi S Jaakkola
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8214422.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles

, Authors: Tobias Sandmeier, Friedrich Wieland Goetzke, Simon Krautwald, Erick Carreira
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8208656.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Investigate New Reactivities Enabled by Polariton Photochemistry

, Authors: Arkajit Mandal, Pengfei Huo
Version undefined posted 04 June 2019
Posted
Jun 04, 2019
10.26434/chemrxiv.8220875.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Low Dimensional Representations along Intrinsic Reaction Coordinates and Molecular Dynamics Trajectories Using Interatomic Distance Matrices

, Authors: Stephanie Hare, Lars Bratholm, David Glowacki, Barry Carpenter
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8089208.v2
 
Subject: Chemistry
,
Working Paper
, Title:

The chemfp Project

, Authors: Andrew Dalke
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.7877846.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Multiplexed Chemical Control of Signaling Pathways by Orthogonal, Plasma Membrane-Specific SLIPT Systems

, Authors: Akinobu Nakamura, Choji Oki, Kenya Kato, Satoko Fujinuma, Gembu Maryu, Keiko Kuwata, Tatsuyuki Yoshii, Michiyuki Matsuda, Kazuhiro Aoki, Shinya Tsukiji
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8222456.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Highly Crystalline Anthracene-Based MOF-74 Series Featuring Electrical Conductivity and Luminescence

, Authors: Patricia Scheurle, Andre Mähringer, Andreas Jakowetz, Pouya Hosseini, Alexander Richter, Gunther Wittstock, Dana D. Medina, Thomas Bein
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8222492.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Strong Hydrogen Bonds Are Not Shielded in Ionic Liquids

, Authors: Teresa Naranjo, Rubén Álvarez-Asencio, Patricia Pedraz, Belén Nieto-Ortega, Enrique Burzurí, Mark W. Rutland, Emilio Pérez
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8208545.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Interfacial Choline-Aromatic Cation-Pi Interactions Can Contribute as Much to Peripheral Protein Affinity for Membranes as Aromatics Inserted Below the Phosphates

, Authors: Qaiser Waheed, Hanif M. Khan, Tao He, Mary Roberts, Anne Gershenson, Nathalie Reuter
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8223836.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Chemical Synthesis of (+)-Brevianamide a Supports a Diels–Alderase-Free Biosynthesis

, Authors: Robert Godfrey, Nicholas Green, Gary Nichol, Andrew Lawrence
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8224148.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Time Dependent Density Functional Theory Calculations of 4-Thiothymidine-containing DNA Dinucleotides

, Authors: Dawn Luong, Luis A. Ortiz-Rodríguez, Carlos Crespo-Hernández
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8224292.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

, Authors: Leigh Weston, Vahe Tshitoyan, John Dagdelen, Olga Kononova, Kristin Persson, Gerbrand Ceder, Anubhav Jain
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8226068.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Atomic Partitioning of the MPn (N=2,3,4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms (IQA) Method: A Fast and Accurate Electrostatic Potential Integral Approach

, Authors: Mark A. Vincent, arnaldo silva, Paul Popelier
Version undefined posted 05 June 2019
Posted
Jun 05, 2019
10.26434/chemrxiv.8229158.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Unraveling Fullerene-Perovskite Interactions Introduces Advanced Blend Films for Performance-Improved Solar Cells

, Authors: Jorge Pascual, Silvia Vollavini, Sebastian F. Völker, Nga Phung, Elisa Palacios-Lidon, Lourdes Ibáñez, hans jurgen-grande, Antonio Abate, juan luis delgado cruz, Ramón Tena-Zaera
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8229833.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photocatalytic Alkylation of Pyrroles and Indoles with α-Diazo Esters

, Authors: Łukasz Ciszewski, Jakub Durka, Dorota Gryko
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8230235.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Stable Surfaces that Bind too Tightly: Can Range Separated Hybrids or DFT+U Improve Paradoxical Descriptions of Surface Chemistry?

, Authors: Qing Zhao, Heather Kulik
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8230940.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Energizing Listless Pyrimidines by Pre-Distortion for the General Synthesis of 7-Aza-Indazoles from 2-Hydrazonylpyrimidines via Intramolecular Diels-Alder Reactions

, Authors: Vincent Le Fouler, yu Chen, Vincent Gandon, Vincent Bizet, Christophe Salomé, Thomas Fessard, Fang Liu, K. N. Houk, Nicolas Blanchard
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8230172.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Semi-Heterogeneous Dual Nickel/Photocatalytic (Thio)Etherification using Carbon Nitrides

, Authors: Cristian Cavedon, Amiera Madani, Peter H. Seeberger, Bartholomäus Pieber
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8231144.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Multiple Bonds in Novel Uranium-Transition Metal Complexes

, Authors: Prachi Sharma, Dale Pahls, Bianca Ramirez, Connie C. Lu, Laura Gagliardi
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8233385.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Controlling Molecular Weight Distributions Through the Mixing of Low Dispersity Polymer Samples: A Predictive Framework

, Authors: Maarten Rubens, Tanja Junkers
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8233460.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Bimetallic Doping in Cobalt Titanate for Methane Reforming

, Authors: Disha Jain
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.8233967.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Tuning the Activities of Cu2O Nanostructures via the Oxide-Metal Interaction

, Authors: Wugen Huang, qingfei liu, Zhiwen Zhou, Yangsheng Li, Yong Wang, Yunchuan Tu, Dehui Deng, Fan Yang, Xinhe Bao
Version undefined posted 06 June 2019
Posted
Jun 06, 2019
10.26434/chemrxiv.7938116.v4
 
Subject: Chemistry
,
Working Paper
, Title:

Programmable Dynamic Steady States in ATP-Driven Non-Equilibrium DNA Systems

, Authors: Laura Heinen, Andreas Walther
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.7964489.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Further Evidence for Energy Landscape Flattening in the Superionic Argyrodites Li6+xP1−xMxS5I (M = Si, Ge, Sn)

, Authors: Saneyuki Ohno, Bianca Helm, Till Fuchs, Georg Dewald, Marvin Kraft, Sean Culver, Anatoliy Senyshyn, Wolfgang Zeier
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8109506.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Spectroscopic and Kinetic Insights into the Methane Reforming over Ce-pyrochlores

, Authors: Disha Jain, Shreya Saha
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8231246.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Unconventional Optical Response in Engineered Au-Ag Nanostructures

, Authors: Dev Kumar Thapa, Subham Kumar Saha, Guru Pratheep Rajasekar, Biswajit Bhattacharyya, Rekha Mahadevu, Anshu Pandey
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8234057.v1
 
Subject: Chemistry
,
Working Paper
, Title:

MasterMSM: A Package for Constructing Master Equation Models of Molecular Dynamics

, Authors: David De Sancho, Anne Aguirre
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8234147.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Redox-Active Heteroacene Chromophores Derived from a Non-Linear Aromatic Diimide

, Authors: Stella Luo, Kellie Stellmach, Stella Ikuzwe, Dennis Cao
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8236466.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Facile Size-Controlled Synthesis of Fluorescent Carbon Nanoparticles with Size-Independent Optical Properties

, Authors: Aaron Schwartz-Duval, Neal Mistry, Indrajit Srivastava, Jasleena Singh, Kelsey Golk, Dipanjan Pan
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8236547.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Activation Energy and NBO Interaction Approaches to the Determination of the Relative Resonance Acceptor Strengths of CN, NO, COMe, CHO and NO2 Groups from the Ring-Opening of 1,2-Benzo-3-Carbomethoxycyclobutenes

, Authors: Veejendra Yadav, Arpita Yadav
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8239157.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Multipolar/Polarizable Molecular Dynamics Simulations of Liquid-Liquid Extraction of Benzene from Hydrocarbons Using Ionic Liquids

, Authors: Erik A. Vazquez-Montelongo, G. Andres Cisneros, Hugo Flores
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8239829.v1
 
Subject: Chemistry
,
Working Paper
, Title:

In Vitro Sialylation of Recombinant Alpha-1-Antitrypsin using α2,6 Sialyltransferase from Photobacterium Damselae Produces Di-sialyl Galactose Motifs in N-Glycans

, Authors: Edward Pallister, Matthew Choo, jien nee tai, Dawn leong, Wen-Qin Tang, Say-Kong Ng, Kun Huang, Andrea Marchesi, Peter Both, Chris Gray, Pauline Rudd, Sabine Flitsch, Terry Nguyen-Khuong
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8233721.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ultra-High to Ultra-Low Drug Loaded Micelles: Probing Host-Guest Interactions by Fluorescence Spectroscopy

, Authors: Michael M Lübtow, Henning Marciniak, Alexander Schmiedel, Markus Roos, Christoph Lambert, Robert Luxenhofer
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8241107.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Analysis and reporting recommendations for theoretical and experimental ionization potentials based on the study of 53 medium sized molecules using the IP-EOMCCSD method.

, Authors: Marissa Buzzanca, Brandon Brummeyer, Jonathan Gutow
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.7448021.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Improved Sampling in Ab Initio-Based Free Energy Calculations of Amino Acids at Solid-Liquid Interfaces: A Tight-Binding Assessment on TiO2 Anatase (101)

, Authors: Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev
Version undefined posted 07 June 2019
Posted
Jun 07, 2019
10.26434/chemrxiv.8230427.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Gold(I)-Catalyzed Stereoselective Cyclization of 1,3-Enyne Aldehydes by 1,3-Acyloxy Migration/Nazarov/Aldol Cascade

, Authors: Marco Brandstaetter, Nikolas Huwyler, Erick Carreira
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8247803.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Reprocessing Cross-linked Polyurethanes by Catalyzing Carbamate Exchange

, Authors: David J. Fortman, Daylan T. Sheppard, William Dichtel
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8243063.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ab Initio Prediction of Metal-Organic Framework Structures

, Authors: James P. Darby, Mihails Arhangelskis, Athanassios D. Katsenis, Joseph Marrett, Tomislav Friscic, Andrew J. Morris
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8204159.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Electrochemical TEMPO-Catalyzed Multicomponent C(sp3)-H α-Carbamoylation of Free Cyclic Secondary Amines

, Authors: Na Pan, Johanne Ling, Jean-Pierre Pulicani, Maxime R. Vitale, Laurence Grimaud
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8242418.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Effect of Structural Dimensionality on Carrier Mobility in Lead-Halide Perovskites

, Authors: Noor Titan Putri Hartono, Shijing Sun, María Gélvez-Rueda, Polly Pierone, Matthew Erodici, Jason Yoo, Fengxia Wei, Moungi Bawendi, Ferdinand Grozema, Meng-ju Sher, Tonio Buonassisi, Juan-Pablo Correa-Baena
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8242604.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Conformational Entropy as a Means to Control the Behavior of Poly(diketonenamine) Vitrimers In and Out of Equilibrium

, Authors: Changfei He, Peter Christensen, Trevor Seguin, Brandon Wood, Kristin Persson, Thomas Russell, Brett Helms
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8244572.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Elusive 5′-Deoxyadenosyl Radical: Captured and Characterized by EPR and ENDOR Spectroscopies

, Authors: Hao Yang, Elizabeth C. McDaniel, Stella Impano, Amanda S. Byer, Richard Jodts, Kenichi Yokoyama, William E. Broderick, Joan Broderick, Brian M. Hoffman
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8244596.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis of Polyacetylene-like Modified Graphene Oxide Aerogel and Its Enhanced Electrical Properties

, Authors: Enrico Greco, Jing Shang, jiali zhu, Tong Zhu
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8246384.v1
 
Subject: Chemistry
,
Working Paper
, Title:

An Anthrone-Based Kv7.2/7.3 Channel Blocker with Improved Properties for the Investigation of Psychiatric and Neurodegenerative Disorders

, Authors: Jacob Porter, Oscar Vivas-Rodriguez, C. David Weaver, Eamonn Dickson, Abdulmohsen Alsafran, Elliot DiMilo, Leggy Arnold, Chris Dockendorff
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.26434/chemrxiv.8246417.v1
 
Subject: Politics and International Relations
,
Working Paper
, Title:

Power and Trade Agreements between Developed and Developing Countries

, Authors: Muhammad Hassan Bin Afzal
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.33774/apsa-2019-xzz4z
 
Subject: Politics and International Relations
,
Working Paper
, Title:

The Correlations between Microfinance Participation and Intimate Partner Violence (IPV) in Rural Bangladesh: Economic Disempowerment and Deteriorating Social Health in Rural Women

, Authors: Muhammad Hassan Bin Afzal
Version undefined posted 10 June 2019
Posted
Jun 10, 2019
10.33774/apsa-2019-xwc4c
 
Subject: Chemistry
,
Working Paper
, Title:

The Role of Interface in Stabilizing Reaction Intermediates for Hydrogen Evolution in Aprotic Li-Ion Battery Electrolyte

, Authors: Ivano E. Castelli, Dusan Strmcnik, Milena Zorko, Thomas Østergaard, Pedro Farinazzo Bergamo Dias Martins, Pietro Papa Lopes, Byron K. Antonopoulos, Filippo Maglia, Nenad M. Markovic, Jan Rossmeisl
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8246771.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Dynamic Perturbation of the Electrical Double Layer with an Electrochemical AFM for Confined Metal Electrodeposition

, Authors: Esther Alarcon, mark aarts
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8246897.v1
 
Subject: Chemistry
,
Working Paper
, Title:

“Hydrotriphylites” Li1-xFe1+x(PO4)1-y(OH)4y as Cathode Materials for Li-ion Batteries

, Authors: Vasily D. Sumanov, Dmitry A. Aksyonov, Oleg A. Drozhzhin, Igor A. Presniakov, Alexey V. Sobolev, Iana S. Glazkova, Alexander A. Tsirlin, Dmitry Rupasov, Anatoliy Senyshyn, Irina V. Kolesnik, Keith J. Stevenson, Evgeny Antipov, Artem Abakumov
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8246840.v1
 
Subject: Chemistry
,
Working Paper
, Title:

DNA and RNA Telomeric G-Quadruplexes: What Topology Features Can be Inferred from Ion Mobility Mass Spectrometry?

, Authors: Valentina D’Atri, Valerie Gabelica
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8246975.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Autoionization Dynamics of (2P1/2)ns/d States in Krypton Probed by Noncollinear Wave Mixing with Attosecond Extreme Ultraviolet and Few-Cycle Near Infrared Pulses

, Authors: Ashley Fidler, Hugo Marroux, Erika Warrick, Etienne Bloch, Wei Cao, Stephen Leone, Daniel Neumark
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8247152.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Rapid Quantitation of 25-Hydroxyvitamin D2 and D3 in Human Serum Using Liquid Chromatography/drift Tube Ion Mobility-Mass Spectrometry

, Authors: Nicholas R. Oranzi, Jiajun Lei, Robin H. J. Kemperman, Christopher D. Chouinard, Brett Holmquist, Timothy J. Garrett, Richard Yost
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.26434/chemrxiv.8247176.v1
 
Subject: Politics and International Relations
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Working Paper
, Title:

Are former rebel parties more likely to use violence during elections?

, Authors: John Ishiyama, Michael Marshall, Brandon Stewart
Version undefined posted 11 June 2019
Posted
Jun 11, 2019
10.33774/apsa-2019-v7kji
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Hydroalkylation and Hydroalkenylation of 1,3-Dienes with Hydrazones

, Authors: Lei Cheng, Ming-Ming Li, Biao Wang, LIJUN XIAO, JIANHUA XIE, QILIN ZHOU
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8247515.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Opportunities and Challenges for Nanoparticle Synthesis using Continuous Flow Systems: A Magnetite Nanocluster Case Study

, Authors: Erika Fong, Jinkyu Han, C. Cameron Cornell, Yong Han
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8248838.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Quantum Calculation of Proton and Other Charge Transfer Steps in Voltage Sensing in the Kv1.2 Channel

, Authors: Alisher M Kariev, Michael Green
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8251073.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Current Vortices in Aromatic Carbon Molecules

, Authors: Thomas Stegmann, John A. Franco-Villafañe, Yenni P. Ortiz, Michael Deffner, Carmen Herrmann, Ulrich Kuhl, Fabrice Mortessagne, Francois Leyvraz, Thomas H. Seligman
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8251076.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Assemblies of D-peptides for Targeting Cell Nucleolus

, Authors: Huaimin Wang, Zhaoqianqi Feng, Weiyi Tan, Bing Xu
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8247179.v1
 
Subject: Chemistry
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Working Paper
, Title:

Brain-Penetrating Peptide Shuttles Across the Blood-Brain Barrier and Extracellular-like Space

, Authors: Xiujuan Peng, Xinquan Liu, Yen-Liang Liu, Jae You Kim, Yuan-I Chen, Phyllis Ang, Alex Nguyen, Jasmim Leal, Hsin-Chih Yeh, Debadyuti Ghosh
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8242871.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanistic Aspects of a Surface Organovanadium(III) Catalyst for Hydrocarbon Hydrogenation and Dehydrogenation

, Authors: David Kaphan, Magali Ferrandon, Ryan R. Langeslay, Gokhan Celik, Evan Wegener, Cong Liu, Jens Niklas, Oleg Poluektov, Massimiliano Delferro
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8244749.v2
 
Subject: Chemistry
,
Working Paper
, Title:

The Malleable Excited States of Benzothiadiazole Dyes and Investigation of their Potential for Photochemical Control

, Authors: Caroline C. Warner, andrea thooft, Bryan J. Lampkin, selin demirci, Brett VanVeller
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8251568.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Ba-Addition Induced Enhanced Surface Reducibility of SrTiO3: Implication on Catalytic Aspects

, Authors: Noopur Jain, ahin roy, Angana De
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8255717.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Henderson Hasselbalch Relationship and Weak Acid Titration

, Authors: Marc Blétry
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8256035.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Considerations on the Derivative of the Titration Curve of a Weak Diacid

, Authors: Marc Blétry
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8256047.v1
 
Subject: Chemistry
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Working Paper
, Title:

High Performance Cation Exchange Membranes Synthesized via In-Situ Emulsion Polymerization Without Organic Solvents and Corrosive Acids

, Authors: Shanxue Jiang, Bradley P. Ladewig
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8256170.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Monitoring of Irinotecan in Human Plasma: Sensitive Fluorescent Nanogels by Molecular Imprinting

, Authors: Martina Tommasini, Elena Pellizzoni, Valentina Iacuzzi, Elena Marangon, Paola Posocco, Cristina Forzato, Paolo Bertoncin, Giuseppe Toffoli, Marina Resmini, Federico Berti
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8256695.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Development of a Split Esterase for Protein-Protein Interaction Dependent Small Molecule Activation

, Authors: Krysten A. Jones, Kaitlin Kentala, Michael Beck, Weiwei An, Alexander Lippert, Jared C. Lewis, Bryan Dickinson
Version undefined posted 12 June 2019
Posted
Jun 12, 2019
10.26434/chemrxiv.8258633.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Outer Sphere Urea Hydrolysis by Bis-Nickel Complexes: Questioning the Urea Activation by the Urease Enzyme

, Authors: Caterina Gruenwaldt Cunha Marques Netto, Christian O. Martins, Letícia K. Sebastiany, Alejandro López-Castillo, Rafael S. Freitas, LEANDRO H. ANDRADE, Henrique E. Toma
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8258900.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Optical Spectra in the Condensed Phase: Capturing Anharmonic and Vibronic Features Using Dynamic and Static Approaches

, Authors: Tim Zuehlsdorff, Andres Montoya-Castillo, Joseph Anthony Napoli, Thomas E. Markland, Christine Isborn
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8259095.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Concise Synthesis of GB22 by Endo-Selective Siloxycyclopropane Arylation

, Authors: Hannah E. Burdge, Takuya Oguma, Takahiro Kawajiri, Ryan Shenvi
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8263415.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Dual Role of Histidine as General Base and Recruiter of a Third Metal Ion in HIV-1 RNase H

, Authors: Simon L. Dürr, Olga Bohuszewicz, Reynier Suardiaz, Pablo G. Jambrina, Christine Peter, Yihan Shao, Edina Rosta
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8224538.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Balancing Bulkiness in Gold(I) Phosphino-Triazole Catalysis

, Authors: Yiming Zhao, Matthew Wakeling, Fernanda Meloni, Tze Jing Sum, Huy van Nguyen, Benjamin Buckley, Paul Davies, John Fossey
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8264123.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Nanomaterials Discovery Robot for the Darwinian Evolution of Shape Programmable Gold Nanoparticles

, Authors: Graham Keenan, Daniel Salley, Sergio Martin, Jonathan Grizou, Abhishek Sharma, Leroy Cronin
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8266547.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Nickel-Catalyzed Regioselective Hydroalkylation of 1,3-Dienes with Hydrazones

, Authors: Leiyang Lv, Dianhu Zhu, Zihang Qiu, Jianbin Li, Chao-Jun Li
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8266643.v1
 
Subject: Chemistry
,
Working Paper
, Title:

BrHgO• + C2H4 and BrHgO• + HCHO in Atmospheric Oxidation of Mercury: Determining Rate Constants of Reactions with Pre-Reactive Complexes and a Bifurcation

, Authors: Khoa T. Lam, Curtis J. Wilhelmsen, Theodore Dibble
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8266733.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Multi-Resolution Autoregressive Graph-to-Graph Translation for Molecules

, Authors: Wengong Jin, Regina Barzilay, Tommi S Jaakkola
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8266745.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Study of Structural & Magnetic Properties of CoN Thin Films

, Authors: Mukul Gupta, Yogesh Kumar, Nidhi Pandey, Akhil Tayal, Wolfgang Caliebe, Jochen Stahn
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.26434/chemrxiv.8267450.v1
 
Subject: Politics and International Relations
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Working Paper
, Title:

The long shadow of dictatorships beyond the near East: authoritarian legacies and citizens' democratic attitudes in Indonesia, Myanmar and Thailand

, Authors: Giovanna Dore
Version undefined posted 13 June 2019
Posted
Jun 13, 2019
10.33774/apsa-2019-aukz8
 
Subject: Chemistry
,
Working Paper
, Title:

Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning

, Authors: Justin S Smith, Benjamin T. Nebgen, Roman Zubatyuk, Nicholas Lubbers, Christian Devereux, Kipton Barros, Sergei Tretiak, Olexandr Isayev, Adrian Roitberg
Version undefined posted 14 June 2019
Posted
Jun 14, 2019
10.26434/chemrxiv.6744440.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Enhanced Diffusion of Molecular Catalysts Is Due to Convection

, Authors: Thomas MacDonald, William S. Price, R. Dean Astumian, Jonathon Beves
Version undefined posted 14 June 2019
Posted
Jun 14, 2019
10.26434/chemrxiv.8259317.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Proton Acidity and Proton Mobility in ECR-40, a Silicoaluminophosphate That Violates Löwenstein’s Rule

, Authors: Michael Fischer
Version undefined posted 14 June 2019
Posted
Jun 14, 2019
10.26434/chemrxiv.8268380.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Layered Manganese Bismuth Tellurides with GeBi4Te7– and GeBi6Te10–type Structures: Towards Multifunctional Materials

, Authors: Daniel Souchay, Markus Nentwig, Daniel Günther, Simon Keilholz, Johannes de Boor, Alexander Zeugner, Anna Isaeva, Michael Ruck, Anja U. B. Wolter, Bernd Büchner, Oliver Oeckler
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8244719.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis-Controlled Polymorphism, Magnetic and Electrochemical Properties of Li3Co2SbO6

, Authors: Alex J. Brown, Brendan J. Kennedy, Chris D. Ling
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8246966.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Active Oxygen Evolution Electrocatalysts Based on Cobalt Amide Imidate Imidazolate Frameworks

, Authors: Alberto Bucci, Suvendu Sekhar Mondal, Vlad Martin-Diaconescu, Alexandr Shafir, Julio Lloret-Fillol
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8273240.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Unexpectedly Large Couplings Between Orthogonal Units in Anthraquinone Polymers

, Authors: Rocco Peter Fornari, Piotr de Silva
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8275238.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Restriction of Access to Dark State: A New Mechanistic Model for Heteroatom-Containing AIE Systems

, Authors: Yujie Tu, Junkai Liu, Haoke Zhang, Qian Peng, Jacky W. Y. Lam, Ben Zhong Tang
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8275325.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Reversible Spatiotemporal Control of Induced Protein Degradation by Bistable photoPROTACs

, Authors: Patrick Pfaff, Kusal T. G. Samarasinghe, Craig M. Crews, Erick Carreira
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8281469.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Total Synthesis of (±)-Illisimonin A, a Neuroprotective Sesquiterpenoid from the Fruits of Illicium simonsii

, Authors: Alexander S. Burns, Scott Rychnovsky
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8277392.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Catalytic Oxidative Benzylation of Amines Enabled by Direct Ionic Decarboxylation

, Authors: Duanyang Kong, Patrick Moon, Odey Bsharat, Rylan Lundgren
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8279432.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Enumeration of de novo Inorganic Complexes for Chemical Discovery and Machine Learning

, Authors: Stefan Gugler, Jon Paul Janet, Heather Kulik
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8279609.v1
 
Subject: Chemistry
,
Working Paper
, Title:

ff19SB: Amino-Acid Specific Protein Backbone Parameters Trained Against Quantum Mechanics Energy Surfaces in Solution

, Authors: Chuan Tian, Koushik Kasavajhala, Kellon Belfon, Lauren Raguette, He Huang, Angela Migues, John Bickel, Yuzhang Wang, Jorge Pincay, Qin Wu, Carlos Simmerling
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8279681.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Visualization and Manipulation of Molecular Motion in Solid State through Photo-Induced Clusteroluminescence

, Authors: Haoke Zhang, Lili Du, Lin Wang, Junkai Liu, Qing Wan, Ryan Tsz Kin Kwok, Jacky W. Y. Lam, David Lee Phillips, Ben Zhong Tang
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8280464.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Graphene Supported Tungsten Carbide as Catalyst for Electrochemical Reduction of CO2

, Authors: Sahithi Ananthaneni, Rees Rankin
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8280986.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Investigation of the Effects of Copper Nanoparticles on Magnesium-Sulfur Battery Performance: How Practical Is Metallic Copper Addition?

, Authors: Peng He, Hunter O. Ford, Laura C. Merrill, Jennifer Schaefer
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8281073.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Reinvestigation of the Deceptively Simple Reaction of Toluene with ●OH, and the Fate of the Benzyl Radical. I. a Combined Thermodynamic and Kinetic Study on the Competition Between ●OH Addition and Hydrogen Abstraction Reactions.

, Authors: Zoi Salta, Agnie M. Kosmas, Marc E. Segovia, Martina Kieninger, Oscar Ventura, Vincenzo Barone
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8281283.v1
 
Subject: Chemistry
,
Working Paper
, Title:

NMR-Enhanced Crystallography Aids Open Metal-Organic Framework Discovery Using Solvent-Free Accelerated Aging

, Authors: Christopher A. O’Keefe, Cristina Mottillo, László Fábián, Tomislav Friscic, Robert W. Schurko
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8281787.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Dynamics Simulations of the “Breathing” Phase Transformation of MOF Nanocrystallites

, Authors: Julian Keupp, Rochus Schmid
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.26434/chemrxiv.8281082.v1
 
Subject: Politics and International Relations
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Working Paper
, Title:

A Better Place To Be- Republicanism and the Liberal Democracy index

, Authors: Christopher Binetti
Version undefined posted 17 June 2019
Posted
Jun 17, 2019
10.33774/apsa-2019-2mw2o
 
Subject: Chemistry
,
Working Paper
, Title:

A Metal-Free Facile Construction of C(sp3) –CF3 Bond: Trifluoromethylation of Hydrazones with Togni’s Reagent under Mild Conditions

, Authors: Zhen Luo, Xinlong Han, Huiying Zeng, Chao-Jun Li
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8282258.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Production of Sulfate and Methanesulfonic Acid from Dissolved Organic Sulfur in Natural Waters

, Authors: Rachele Ossola, Julie Tolu, Baptiste Clerc, Paul R. Erickson, Lenny H. E. Winkel, Kristopher McNeill
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.7807796.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Hypergolic Triggers as Cocrystal Formers: Cocrystallization for Creating New Hypergolic Materials with Tunable Energy Content

, Authors: Hatem M. Titi, Mihails Arhangelskis, Giovanni Rachiero, Tomislav Friscic, Robin Rogers
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8273654.v1
 
Subject: Chemistry
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Working Paper
, Title:

A Fast Implementation of the Nudged Elastic Band Method in AMBER

, Authors: Delaram Ghoreishi, David Cerutti, Zachary Fallon, Carlos Simmerling, Adrian Roitberg
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8283554.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer

, Authors: Michael Dommett, Miguel Rivera, Matthew T. H. Smith, Rachel Crespo Otero
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8283710.v1
 
Subject: Chemistry
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Working Paper
, Title:

The FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

, Authors: Zak E. Hughes, emmanuel ren, Joseph C. R. Thacker, benjamin symons, arnaldo silva, Paul Popelier
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8282486.v1
 
Subject: Chemistry
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Working Paper
, Title:

2,2’-Dipyridylamine as Organic Molecular Electrocatalyst for Hydrogen Evolution Reaction in Acidic Electrolytes

, Authors: Xi Yin, Ling Lin, Hoon T. Chung, Ulises Martinez, Andrew M. Baker, Sandipkumar Maurya, Piotr Zelenay
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8273627.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Transport Properties of Nanoporous, Chemically Forced Biological Lattices

, Authors: Po-Nan Li, Jonathan Herrmann, Soichi Wakatsuki, Henry van den Bedem
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8285594.v1
 
Subject: Chemistry
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Working Paper
, Title:

Ground State Destabilization in Uracil DNA Deglycosylase (UDG): Let’s Not Forget “Tautomeric Strain” in Substrates

, Authors: Ranjita Das, Erik A. Vázquez-Montelongo, G. Andres Cisneros, Judy Wu
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8285804.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Investigations into the Stability of Siloxy Carbene Intermediates and the Corresponding Oxocarbenium Ions

, Authors: Daniel Priebbenow
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.26434/chemrxiv.8288813.v1
 
Subject: Politics and International Relations
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Working Paper
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Democracy and Social Forces

, Authors: Amanda Edgell, Michael Bernhard
Version undefined posted 18 June 2019
Posted
Jun 18, 2019
10.33774/apsa-2019-85kpp
 
Subject: Chemistry
,
Working Paper
, Title:

Study of Chemical Similarity Between Molecules Through a Comparative Method of Standard Thermodynamic Properties

, Authors: Tetsafe De Angeli
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.7357052.v5
 
Subject: Chemistry
,
Working Paper
, Title:

A General Method for Structure Prediction of Metal-Ligand Interfaces of Hybrid Nanoparticles

, Authors: Sami Malola, Paavo Nieminen, Joonas Hamalainen, Tommi Karkkainen, Hannu Hakkinen, Antti Pihlajamaki
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.7784828.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Mechanosynthesis of Sydnone-­Containing Coordination Complexes

, Authors: Nicolas Petry, Thibaut Vanderbeeken, Astrid Malher, Yoan Bringer, Pascal Retailleau, Xavier Bantreil, Frédéric Lamaty
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8075222.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Tropolone-Based Treatments for Visualising Latent Fingermarks on Porous Surfaces

, Authors: Clara M. Agapie, Melissa Sampson, William Gee
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.7892870.v3
 
Subject: Chemistry
,
Working Paper
, Title:

Ordered Intermetallic Nanoparticles with High Catalytic Activity Prepared by an Electrochemically Induced Phase Transformation

, Authors: Du Sun, yunfei wang, Kenneth Livi, chuhong wang, ruichun luo, zhuoqun zhang, hamdan alghamdi, chenyang li, fufei an, bernard gaskey, Tim Mueller, Shoji Hall
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8289812.v1
 
Subject: Chemistry
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Working Paper
, Title:

A Simplified Protocol for the ortho-Deuteration of Acidic Aromatic Compounds in D2O

, Authors: Alyssa Garreau, Hanyang Zhou, Michael Young
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8292296.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Machine Learning Guided Approach for Studying Solvation Environments

, Authors: Yasemin Basdogan, Mitchell C. Groenenboom, Ethan Henderson, Sandip De, Susan Rempe, John Keith
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8292362.v1
 
Subject: Chemistry
,
Working Paper
, Title:

The Endocyclic Carbon Substituent of Guanidinate and Amidinate Precursors Controlling ALD of InN Films

, Authors: Polla Rouf, Nathan J O'Brien, Karl Rönnby, Rouzbeh Samii, Ivan G. Ivanov, Lars Ojamäe, Henrik Pedersen
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8293952.v1
 
Subject: Chemistry
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Working Paper
, Title:

Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments

, Authors: Peter Reinholdt, Erik Kjellgren, Casper Steinmann, Jógvan Magnus Haugaard Olsen
Version undefined posted 19 June 2019
Posted
Jun 19, 2019
10.26434/chemrxiv.8126912.v1
 
Subject: Chemistry
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Working Paper
, Title:

Synthesis of N-Alkylpyridin-4-ones and Thiazolo[3,2-a]pyridin-5-ones Through Pummerer-Type Reactions

, Authors: Jingjia Huang, Gang Hu, Shaoyu An, Dongding Chen, Minglei Li, Pingfan Li
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8016026.v3
 
Subject: Chemistry
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Working Paper
, Title:

Energetic Self-Folding Mechanism in α-Helixes

, Authors: Adolfo Bastida, José Zúñiga, Alberto Requena, Javier Cerezo
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8295629.v1
 
Subject: Chemistry
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Working Paper
, Title:

Nano-Folded Gold Electrocatalysts Enhance the Selectivity of Carbon Dioxide Reduction

, Authors: Kam Sang Kwok, Yuxuan Wang, Michael Cao, Hao Shen, Weinan Xu, David Muller, Chao Wang, David Gracias
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8296193.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

, Authors: James McFarlane, Katherine Krause, Irina Paci
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8297129.v1
 
Subject: Chemistry
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Working Paper
, Title:

MicroED Structure of Hexagonal Ice Ih

, Authors: Michael W. Martynowycz, Tamir Gonen
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8298641.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Robust and General Approach to Quantitatively Conjugate Enzymes to Plasmonic Nanoparticles

, Authors: Yuyang Wang, Karsten van Asdonk, Peter Zijlstra
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8299301.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Operando Visualization of Morphological Dynamics in All-Solid-State Batteries

, Authors: Xiaohan Wu, Juliette Billaud, Iwan Jerjen, Federica Marone, Yuya Ishihara, Masaki Adachi, Yoshitaka Adachi, Claire Villevieille, Yuki Kato
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8299406.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Size-Dependent Spin Switching in Robust Fe-triazole@SiO2 Spin-Crossover Nanoparticles with Ultrathin Shell

, Authors: Ramón Torres-Cavanillas, Luis Lima-Moya, Frans D. Tichelaar, Henny W. Zandbergen, Dr. Mónica Giménez Marqués, Eugenio Coronado
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.7613984.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Toward Real-Time Monitoring and Control of Single Nanoparticle Properties with a Microbubble Resonator Spectrometer

, Authors: Levi Hogan, Erik Horak, Jonathan Ward, Kassandra Knapper, Síle Nic Chormaic, Randall Goldsmith
Version undefined posted 20 June 2019
Posted
Jun 20, 2019
10.26434/chemrxiv.8217266.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Diversity Focused Semisyntheses of Tetronate Polyether Ionophores

, Authors: Shaoquan Lin, Han Liu, Esben B. Svenningsen, Christine Pedersen, Peter Nørby, Thomas Tørring, Thomas Poulsen
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.8299715.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Assessing Negative Thermal Expansion in Mesoporous Metal-Organic Frameworks by Molecular Simulation

, Authors: Jack D. Evans, Johannes P. Dürholt, Stefan Kaskel, Rochus Schmid
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.8295878.v1
 
Subject: Chemistry
,
Working Paper
, Title:

‘Connecting the Dots’: Knitting C-Phenylresorcin[4]arenes with Aromatic Linkers for Task-Specific Porous Organic Polymers

, Authors: ARKAPRABHA GIRI, MD. Waseem Hussain, BAHADUR SK, Abhijit Patra
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.8304413.v1
 
Subject: Chemistry
,
Working Paper
, Title:

ChemPer: An Open Source Tool for Automatically Generating SMIRKS Patterns

, Authors: Caitlin C. Bannan, David Mobley
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.8304578.v1
 
Subject: Chemistry
,
Working Paper
, Title:

On the Mechanism of the Nickel-Catalyzed Boron Insertion into the C−O Bond of Benzofuran

, Authors: Ana Mateo-Martínez, Hayate Saito, Hideki Yorimitsu, Carles Bo
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.8306057.v1
 
Subject: Chemistry
,
Working Paper
, Title:

eMap: A Web Application for Identifying and Visualizing Electron or Hole Hopping Pathways in Proteins

, Authors: Ruslan N. Tazhigulov, James R. Gayvert, Melissa Wei, Ksenia B. Bravaya
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.7889993.v3
 
Subject: Chemistry
,
Working Paper
, Title:

Synthesis and self-assembly studies of a new AIEE probe and its application in sensing amyloid fibrillation

, Authors: Nidhi Gour, Vivek Shinh Kshtriya, Shradhey Gupta, Ramesh, Singh, Dhawal Patel, khashti Ballabh Joshi
Version undefined posted 21 June 2019
Posted
Jun 21, 2019
10.26434/chemrxiv.6982895.v2
 
Subject: Politics and International Relations
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Working Paper
, Title:

Why Do Political Philosophers Disagree? Reflections on David Miller’s Strangers in Our Midst

, Authors: Joseph Carens
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.33774/apsa-2019-w8xql
 
Subject: Chemistry
,
Working Paper
, Title:

Influence of Brain Gangliosides on the Formation and Properties of Supported Lipid Bilayers

, Authors: Luke Jordan, Megan Blauch, Ashley Baxter, Jennie Cawley, Nathan Wittenberg
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.7505330.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Combining Ultra-High Drug Loaded Micelles and Shear Thinning, Injectable Hydrogel Drug Depots for Prolonged Drug Release

, Authors: Michael M Lübtow, Thomas Lorson, Tamara Finger, Florian-Kai Gröber-Becker, Robert Luxenhofer
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8280761.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Decomposition Kinetics of Perfluorinated Sulfonic Acids

, Authors: Muhammad Yasir Khan, SUI SO, Gabriel da Silva
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8306414.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Self-Assembled Fluid Phase Floating Membranes with Tuneable Water Interlayers

, Authors: Luke Clifton, Nicoló Paracini, Arwel V. Hughes, Jeremy H. Lakey, Nina-Juliane Seinke, Joshaniel F. K. Cooper, Martynas Gavutis, Maximilian W. A. Skoda
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8307419.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Asymmetric Redox-Neutral Radical Cyclization Catalyzed by Flavin-Dependent ‘Ene’-Reductases

, Authors: Michael Black, Kyle F. Biegasiewicz, Andrew J. Meichan, Daniel G. Oblinsky, bryan kudish, Gregory Scholes, Todd Hyster
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8307629.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Nucleation-Elongation Dynamics of Two-Dimensional Covalent Organic Frameworks

, Authors: Haoyuan Li, Austin Evans, Ioannina Castano, Michael Strauss, William Dichtel, Jean-Luc Bredas
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8309339.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Comparison of Ligand Affinity Ranking Using AutoDock-GPU and MM-GBSA Scores in the D3R Grand Challenge 4

, Authors: Léa El Khoury, Diogo Santos-Martins, Sukanya Sasmal, Jérome Eberhardt, Giulia Bianco, Francesca Alessandra Ambrosio, Leonardo Solis-Vasquez, Andreas Koch, Stefano Forli, David Mobley
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8309690.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Investigating the Mechanism of Post-Treatment on PEDOT:PSS via Single-Particle Absorption Spectroscopy

, Authors: Morgan Rea, Feng Pan, Erik Horak, Kassandra Knapper, Hoang Nguyen, Cecilia Vollbrecht, Randall Goldsmith
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8304524.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex

, Authors: Natalie Rice, Ivan Popov, Dominic Russo, John Bacsa, Enrique Batista, Ping Yang, Joshua Telser, Henry La Pierre
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8309843.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Aqueous Flow Reactor and Vapour-Assisted Synthesis of Aluminium Dicarboxylate Metal-Organic Frameworks for Use as Water Adsorbents

, Authors: Timothée Stassin, Steve Waitschat, Niclas Heidenreich, Helge Reinsch, Finn Puschkell, Dmitry Kravchenko, Ivo Stassen, Jonas van Dinter, Rhea Verbeke, Marcel Dickmann, Werner Egger, Ivo Vankelecom, Dirk De Vos, Rob Ameloot, Norbert Stock
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8311235.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Preliminary Observations on the Interactions Between Chlorogenic Acid and Select Amino Acids

, Authors: Koen Vercruysse
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8311481.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclophospholipids Increase Protocellular Stability to Metal Ions

, Authors: Ö. Duhan Toparlak, Megha Karki, Veronica Egas Ortuno, Ramanarayanan Krishnamurthy, Sheref Mansy
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8312120.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Gold-Aptamer-Nanoconstructs Engineered to Detect Conserved Enteroviral Nucleic Acid Sequences

, Authors: Veeren Chauhan, Mohamed M Elsutohy, C Patrick McClure, Will Irving, Neil Roddis, Jonathan W Aylott
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8312324.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Blinded Prediction of Protein-Ligand Binding Affinity Using Amber Thermodynamic Integration for the 2018 D3R Grand Challenge 4

, Authors: Junjie Zou, Chuan Tian, Carlos Simmerling
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8312375.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Irᴵᴵᴵ as a Strategy for Preorganization in H-Bonded Motifs

, Authors: Barbora Balonova, Helena J. Shepherd, Christopher Serpell, Barry Blight
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8312450.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Film Thickness on the Far- and Near-Field Optical Response of Nanoparticle-on-Film Systems

, Authors: Rachel Armstrong, Willeke van Liempt, Peter Zijlstra
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8313086.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Unified Electro- and Photocatalytic CO2 to CO Reduction Mechanism with Aminopyridine Cobalt Complexes

, Authors: Sergio Fernández, Federico Franco, Carla Casadevall, Vlad Martin-Diaconescu, Josep M. Luis, Julio Lloret-Fillol
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8311700.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Highly Electron-Deficient Pyridinium-Nitrones for Rapid and Tunable Inverse-Electron-Demand Strain-Promoted Alkyne-Nitrone Cycloaddition to Bicyclo[6.1.0]nonyne

, Authors: Praveen Gunawardene, Wilson Luo, Alexander M. Polgar, John F. Corrigan, Mark Workentin
Version undefined posted 24 June 2019
Posted
Jun 24, 2019
10.26434/chemrxiv.8251370.v2
 
Subject: Chemistry
,
Working Paper
, Title:

Effect of Tethered, Axial Thioether Coordination on Rhodium(II)-Catalyzed Silyl-Hydrogen Insertion

, Authors: William Sheffield, Anthony Abshire, Ampofo Darko
Version undefined posted 25 June 2019
Posted
Jun 25, 2019
10.26434/chemrxiv.8314025.v1
 
Subject: Chemistry
,
Working Paper
, Title:

2,2’-Dipyridylamine as Heterogeneous Organic Molecular Electrocatalyst for Two-Electron Oxygen Reduction Reaction in Acid Media

, Authors: Xi Yin, Ling Lin, Ulises Martinez, Piotr Zelenay
Version undefined posted 25 June 2019
Posted
Jun 25, 2019
10.26434/chemrxiv.8283962.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A light-remote-controllable Core-Shell-Brush nanosystem prepared through a sequential one-pot strategy

, Authors: Maria Jazmín Penelas, Cintia Belén Contreras, Paula C. Angelomé, Alejandro Wolosiuk, Omar Azzaroni, Galo J.A.A. Soler-Illia
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8313788.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Isomerization of the Isoprene Hydroxy Nitrates and Formation of Orthonitrite Compounds

, Authors: Gabriel da Silva
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8317127.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Chemoselective Peptide Cyclization and Bicyclization Directly on Unprotected Peptides

, Authors: Yue Zhang, Qing Zhang, Clarence Wong, Xuechen Li
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8320583.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Certification of Matrix Reference Materials in Chemical Measurement: A New Basis for Adopting a Consensus Value Derived from a Proficiency Test

, Authors: Michael Thompson, Philip Potts, Peter Webb
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8320610.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Orientational Order in the Splay Nematic Ground State

, Authors: Richard Mandle, Alenka Mertelj
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8320985.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Bottleneck-Free Hot Hole Cooling in CH3NH3PbI3 Revealed by Femtosecond XUV Absorption

, Authors: Max A. Verkamp, Joshua Leveillee, Aastha Sharma, André Schleife, Josh Vura-Weis
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8323289.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Photochemical Strain-Release Driven Cyclobutylation of C(sp3)-Centered Radicals

, Authors: Guillaume Ernouf, Egor Chirkin, Lydia Rhyman, Ponnadurai Ramasami, Jean-Christophe Cintrat
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8323406.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Refinement of Organic Crystal Structure with Multipolar Electron Scattering Factors

, Authors: Barbara Gruza, Michał Leszek Chodkiewicz, Joanna M. Krzeszczakowska, Paulina Dominiak
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8324324.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Simulating Surfactant-Iron Oxide Interfaces: From Density Functional Theory to Molecular Dynamics

, Authors: Carlos Ayestaran Latorre, James Ewen, Chiara Gattinoni, Daniele Dini
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8325356.v1
 
Subject: Chemistry
,
Working Paper
, Title:

How [FeFe]-Hydrogenase Facilitates Bidirectional Proton Transfer

, Authors: Moritz Senger, Viktor Eichmann, Konstantin Laun, Jifu Duan, Florian Wittkamp, Günther Knör, Ulf-Peter Apfel, Thomas Happe, Martin Winkler, Joachim Heberle, Sven T. Stripp
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8321156.v2
 
Subject: Chemistry
,
Working Paper
, Title:

ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data

, Authors: Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy, Ramachandran Subramanian, Bhargava Urala Kota, Aditya Sonpal, Srirangaraj Setlur, Johannes Hachmann
Version undefined posted 26 June 2019
Posted
Jun 26, 2019
10.26434/chemrxiv.8323271.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Electric Field Driven Interlayer Polarization Effects in Ferromagnetic 2D Van Der Waals Graphene/CrBr3 Heterostructure

, Authors: Sushant Kumar Behera, Pritam Deb
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8325386.v1
 
Subject: Chemistry
,
Working Paper
, Title:

A Robust Non-Self-Consistent Tight-Binding Quantum Chemistry Method for large Molecules

, Authors: Philipp Pracht, Eike Caldeweyher, Sebastian Ehlert, Stefan Grimme
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8326202.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Generalized Extreme Value Statistics, Physical Scaling and Forecasts of Gas Production in the Barnett Shale

, Authors: Tadeusz Patzek, Wardana Saputra, Wissem Kirati, Michael Marder
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8326898.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Cyclopropanation of Terminal Alkenes via Sequential Atom Transfer Radical Addition – 1,3-Elimination

, Authors: Nicholas D. C. Tappin, Weronika Michalska, Simon Rohrbach, Philippe Renaud
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8325251.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Integration of Atomistic Simulation with Experiment Using Time−Temperature Superposition for a Cross-Linked Epoxy Network

, Authors: Ketan S. Khare, Frederick R. Phelan Jr.
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8326172.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Molecular Doping of PCPDT-BT Copolymers: Comparison of Molecular Complexes with and Without Integer Charge Transfer

, Authors: Chuanding Dong, Stefan Schumacher
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8332490.v1
 
Subject: Chemistry
,
Working Paper
, Title:

How to Analyse Chemical Compounds? A Guide to Compositional Data Analysis Demonstrated with Beer Data

, Authors: Matthias Templ, Barbara Templ
Version undefined posted 27 June 2019
Posted
Jun 27, 2019
10.26434/chemrxiv.8275358.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Cu-Catalyzed Hydroboration of Benzylidenecyclopropanes: Reaction Optimization, (Hetero)Aryl Scope, and Origins of Pathway Selectivity

, Authors: Jose Medina, Taeho Kang, Tuğçe Erbay, Huiling Shao, Gary Gallego, Shouliang Yang, Michelle Tran-Dubé, Paul Richardson, Joseph Derosa, Ryan Helsel, Ryan Patman, Fen Wang, Christopher Ashcroft, John Braganza, Indrawan McAlpine, Peng Liu, Keary Engle
Version undefined posted 28 June 2019
Posted
Jun 28, 2019
10.26434/chemrxiv.8341016.v1
 
Subject: Chemistry
,
Working Paper
, Title:

High-Temperature Synthesis of CdSe-Based Core/Shell, Core/Shell/Shell, and Core/Graded-Shell Nanoplatelets for Stable and Efficient Narrowband Emitters

, Authors: Aurelio A. Rossinelli, Henar Rojo, Aniket S. Mule, Marianne Aellen, Ario Cocina, Eva De Leo, Robin Schäublin, David J. Norris
Version undefined posted 28 June 2019
Posted
Jun 28, 2019
10.26434/chemrxiv.8335262.v1
 
Subject: Chemistry
,
Working Paper
, Title:

Modification of Chitosan Based on Computer Simulation and Its Application as Biomaterial

, Authors: Gurmohinder Heggnnavar
Version undefined posted 28 June 2019
Posted
Jun 28, 2019
10.26434/chemrxiv.8342408.v1
 
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