Search

5 results in Keywords: water structure

Theoretical and Computational Chemistry

Reciprocal Polarizable Embedding with a Transferable H2O Potential Function II: Application to (H2O)n Clusters & Liquid Water

Asmus Ougaard Dohn, Elvar Jónsson, Hannes Jonsson

Version 1 posted 05 August 2019

555

Downloads

Biological and Medicinal Chemistry

Biomolecular Solvation Structure Revealed by Molecular Dynamics Simulations

Michael Wall, Gaetano Calabró, Christopher I. Bayly, David Mobley, Gregory Warren

Version 2 posted 13 February 2019

876

Downloads

Role of Water Structure in Alkaline Water Electrolysis

Narayanan Tharangattu Narayanan, Anku Guha, Mihir Sahoo, Khorsed Alam, Krishna Rao D, Prasenjit Sen

Version 1 posted 19 April 2022

392

Downloads

1

Citations

Physical Chemistry

Core-Ionization Spectrum of Liquid Water

Sourav Dey, Sarai Folkestad, Alexander Paul, Henrik Koch, Anna Krylov

Version 1 posted 31 May 2023

369

Downloads

1

Citations

Physical Chemistry

The Shape of Water in Zeolites and Its Impact on Epoxidation Catalysis

Daniel Bregante, Matthew Chan, Jun Zhi Tan, E. Zeynep Ayla, Christopher P. Nicholas, Diwakar Shukla, David Flaherty

Version 1 posted 26 November 2020

1,515

Downloads