Search

Chemistry

Working Paper

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Ryther Anderson, Diego Gómez-Gualdrón

Version 1 posted 21 February 2020

724

Downloads

1

Citations

Chemistry

Working Paper

Profound Effect of the Milling Assembly on Polymorphism in Mechanochemical Cocrystallization

Luzia S. Germann, Mihails Arhangelskis, Robin Stein, Martin Etter, Robert E. Dinnebier, Tomislav Friscic

Version 1 posted 11 February 2020

597

Downloads

1

Citations

Chemistry

Working Paper

Mechanochemical Synthesis of a Mercury(II) Metal-Organic Framework Reveals a Two-Dimensional Polymorph Stabilized by Weak Interactions

Isaiah R. Speight, Igor Huskić, Mihails Arhangelskis, Hatem M. Titi, Robin Stein, Timothy P. Hanusa, Tomislav Friscic

Version 1 posted 26 August 2019

541

Downloads

Chemistry

Working Paper

Exploring the Stability and Disorder in the Polymorphs of L-Cysteine through Density Functional Theory and Vibrational Spectroscopy

John Kendrick, Andrew Burnett

Version 1 posted 28 March 2023

63

Downloads

Chemistry

Working Paper

Quantitative reversible one pot interconversion of three crystalline polymorphs by ball mill grinding.

Ana M. Belenguer, Giulio I. Lampronti, Adam A. L. Michalchuk, Franziska Emmerling, Jeremy K. M. Sanders

Version 1 posted 11 February 2022

257

Downloads

Chemistry

Working Paper

Cocrystal Trimorphism as a Consequence of Orthogonality of Halogen- and Hydrogen-Bonding

Filip Topic, Katarina Lisac, Mihails Arhangelskis, Kari Rissanen, Dominik Cincic, Tomislav Friscic

Version 1 posted 26 August 2019

430

Downloads

Chemistry

Working Paper

Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

Christopher R. Taylor, Matthew T. Mulvee, Domonkos S. Perenyi, Michael R. Probert, Graeme Day, Jonathan Steed

Version 1 posted 25 June 2020

401

Downloads

Chemistry

Working Paper

Polymorphism mediated by electric fields: A first principles study on organic/inorganic interfaces

Johannes J. Cartus, Andreas Jeindl, Anna Werkovits, Lukas Hörmann, Oliver T. Hofmann

Version 2 posted 17 March 2023

123

Downloads

Chemistry

Working Paper

Heterogeneous Interactions Promote Crystallization and Spontaneous Resolution of Chiral Molecules

John Carpenter, Michael Gruenwald

Version 1 posted 31 July 2019

684

Downloads

Chemistry

Working Paper

A Tale of Two Transitions: Unraveling Two Distinct Polymorph Transition Mechanisms in One n-Type Single Crystal for Dynamic Electronics

Daniel W. Davies, Sang Kyu Park, Stephen B. Shiring, Hyunjoong Chung, Prapti Kafle, Dafei Yuan, Joseph W. Strzalka, Ralph Weber, Xiaozhang Zhu, Brett M. Savoie, Ying Diao

Version 1 posted 17 December 2021

329

Downloads

1

Citations

Refine Search

42 results in Polymorphism in Keywords: Polymorphism

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Profound Effect of the Milling Assembly on Polymorphism in Mechanochemical Cocrystallization

Mechanochemical Synthesis of a Mercury(II) Metal-Organic Framework Reveals a Two-Dimensional Polymorph Stabilized by Weak Interactions

Exploring the Stability and Disorder in the Polymorphs of L-Cysteine through Density Functional Theory and Vibrational Spectroscopy

Quantitative reversible one pot interconversion of three crystalline polymorphs by ball mill grinding.

Cocrystal Trimorphism as a Consequence of Orthogonality of Halogen- and Hydrogen-Bonding

Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

Polymorphism mediated by electric fields: A first principles study on organic/inorganic interfaces

Heterogeneous Interactions Promote Crystallization and Spontaneous Resolution of Chiral Molecules

A Tale of Two Transitions: Unraveling Two Distinct Polymorph Transition Mechanisms in One n-Type Single Crystal for Dynamic Electronics

42 results in Keywords: Polymorphism