Search

5 results in Keywords: water

Theoretical and Computational Chemistry

Getting the intermolecular forces correct: introducing the ASTA strategy for a water model

Jiří Mareš, Pau Mayorga Delgado

Version 2 posted 12 March 2024

182

Downloads

Theoretical and Computational Chemistry

Description of ion properties using molecular orbital energy levels

Sergey V. Doronin

Version 1 posted 22 July 2024

72

Downloads

Physical Chemistry

Cooperativity between sodium ions and water molecules facilitates lipid mobility in model cell membranes

Madhurima Chattopadhyay, Emilia Krok, Hanna Orlikowska-Rzeznik, Lukasz Piatkowski

Version 1 posted 14 December 2022

145

Downloads

Materials Chemistry

Water as a modifier in a hybrid coordination network glass

Søren Strandskov Sørensen, Xiangting Ren, Tao Du, Ayoub Traverson, Shibo Xi, Lars R. Jensen, Mathieu Bauchy, Satoshi Horike, John Wang, Morten M. Smedskjaer

Version 1 posted 21 September 2022

215

Downloads

Materials Science

Quantifying the effect of Si/Al ratio on proton solvation and water diffusion in H-FAU using reactive neural network potential.

Indranil Saha, Andreas Erlebach, Petr Nachtigall, Christopher J. Heard, Lukáš Grajciar

Version 3 posted 12 July 2023

716

Downloads

3

Citations