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Beyond TD-DFT: Assessing the Bethe-Salpeter Equation within the GW Approximation for Absorption Properties

Ashton R. Henderson, Ismael A. Elayan, Alex Brown

by ChemRxiv

Revisiting the Hückel’s rule: Where Comes the Aromaticity and Antiaromaticity

Guo Yu, Zhanchao Meng, Guangxin Liang

by ChemRxiv

Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic Molecules

Nguyen Thien Phuc Tu, Alexander Knoll, Jörg Behler, Christopher Rowley

by ChemRxiv

Simultaneous Detection of Protein and RNA Using Proximity Ligation of Aptamers and Quantitative Polymerase Chain Reaction

Emil Zaripov, Carlos Gu, Kalem Holmes, Yuchu Dou, Aliaksandra Radchanka, Drake Johnson-Scherger, Petr Kasyanchyk, Abdullah Khraibah, Nandanee Mulloo, Maxim Berezovski

by ChemRxiv

Magnetite Nanodiscs as Vortex-Enhanced MRI Contrast Agents: A Novel Approach in Medical Imaging

Elif Koçar, Enza Di Gregorio, Syed Bilal Nizami, Vicente Durán Toro, Uzair Ali, Lorenzo Signorelli, Teresa Giannattasio, Franziska Wasner, René Stein, Rainer Tietze, Marianna Sorrentino, Alessia Corrado, Allegra Conti, Nicola Toschi, Giuseppe Ferrauto, Danijela Gregurec

by ChemRxiv

Advancing Battery Diagnostics through Operando Neutron Diffraction of Unmodified Non-deuterated Li-ion Single-layer Pouch Cells

Ashok S. Menon, Gabriel E. Pérez, Gaurav C. Pandey, Fabio Orlandi, Pascal Manuel, Tobias A. Bird, Daniel JM Irving, Eleni Fiamegkou, Louis FJ Piper

by ChemRxiv

Why Do Methane Emissions Occur? Towards a Predictive Framework for Risk-Targeted Mitigation in Oil and Gas Operations

Abdulmuiz Adekomi, Shuting Yang, Shannon Stokes, Arvind Ravikumar

by ChemRxiv

Influence of Diol-Based Deep Eutectic Solvents on Laccase Enzyme Activity and Stability

Madushmita Hatimuria, Jyoti Vishwakarma, Akshara Mohan, Riya R Krishnan, Nikesh Chandran C, Krishna Gavvala, ASHOK PABBATHI

by ChemRxiv

Fine-tuning the mechanical and degradation properties of chemically crosslinked hyaluronic acid hydrogels through salt treatment

Mohammad Moeini, Tesnime Hidjir, Sebastian Mafeld, Naomi Matsuura

by ChemRxiv

cQTP25: A New Exchange-Correlation Functional for Core-Electron Ionization Energy

Rodrigo Araujo Mendes, Nathanael J. King, Alex Brown, Rodney J. Bartlett, Mariusz Klobukowski

by ChemRxiv

Deconstructing Chirality: Probing Local and Non-local Effects in Azobenzene Derivatives with X-ray Circular Dichroism

Ajay Khanna, Victor M. Freixas, Lei Xu, Jeremy R. Rouxel, Niranjan Govind, Marco Garavelli, Shaul Mukamel, Sergei Tretiak

by ChemRxiv

Transient interactions between cationic ionizable lipids and anionic lipids foster lamellar to hexagonal phase transition

David Noel Zimmer, Friederike Schmid, Giovanni Settanni

by ChemRxiv

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2025 APSA Annual Meeting: Reimagining Politics, Power, and Peoplehood in Crisis Times

Thu Sep 11 - Sun Sep 14 2025

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