Search

Physical Chemistry

Working Paper

Vibrational Ultra Strong Coupling of Water and Ice

Hidefumi Hiura, Atef Shalabney, Jino George

Version 1 posted 13 September 2019

1,122

Downloads

3

Citations

Energy

Working Paper

Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration

Gabriel Rath, Wassja Kopp, Kai Leonhard

Version 1 posted 24 February 2021

342

Downloads

Theoretical and Computational Chemistry

Working Paper

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

531

Downloads

Physical Chemistry

Working Paper

Data-Driven Many-Body Models Enable a Quantitative Description of Chloride Hydration from Clusters to Bulk

Alessandro Caruso, Francesco Paesani

Version 1 posted 14 June 2021

290

Downloads

Physical Chemistry

Working Paper

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

Michael Nolan, Jose Julio Gutierrez Moreno, Pierre Loverra, Marco Fronzi, Alan O'Riordan

Version 1 posted 26 March 2018

747

Downloads

Physical Chemistry

Working Paper

Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study

Marc Riera, Eric Yeh, Paesani Lab

Version 1 posted 06 December 2019

693

Downloads

Theoretical and Computational Chemistry

Working Paper

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Laura Scalfi, Guillaume Fraux, Anne Boutin, François-Xavier Coudert

Version 1 posted 21 May 2018

523

Downloads

Materials Science

Working Paper

Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

Jose Julio Gutierrez Moreno, Marco Fronzi, Pierre Lovera, Alan O'Riordan, Mike J Ford, Wenjin Li, Michael Nolan

Version 2 posted 05 July 2019

867

Downloads

Physical Chemistry

Working Paper

Disentangling Coupling Effects in the Infrared Spectra of Liquid Water

Kelly M. Hunter, Farnaz A. Shakib, Paesani Lab

Version 1 posted 12 October 2018

767

Downloads

Physical Chemistry

Working Paper

Phonon Abundance-Stiffness-Lifetime Transition from the Mode of Heavy Water to Its Confinement and Hydration

Chang Sun

Version 1 posted 25 October 2018

689

Downloads

Refine Search

126 results in water in Keywords: water

Vibrational Ultra Strong Coupling of Water and Ice

Coupled Anharmonic Thermochemistry from Stratified Monte-Carlo Integration

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

Data-Driven Many-Body Models Enable a Quantitative Description of Chloride Hydration from Clusters to Bulk

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

Data-Driven Many-Body Models for Molecular Fluids: CO2/H2O Mixtures as a Case Study

Structure and Dynamics of Water Confined in Imogolite Nanotubes

Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

Disentangling Coupling Effects in the Infrared Spectra of Liquid Water

Phonon Abundance-Stiffness-Lifetime Transition from the Mode of Heavy Water to Its Confinement and Hydration

126 results in Keywords: water