Water Sites, Networks, and Free Energies With Grand Canonical Monte Carlo

Journal of the American Chemical Society- United States

doi 10.1021/jacs.5b07940

Full Text

Abstract

Available in

Categories

Surface Chemistry

Date

November 20, 2015

Authors

Gregory A. Ross

Michael S. Bodnarchuk

Jonathan W. Essex

Publisher

American Chemical Society (ACS)

Related search

Expanded Grand Canonical and Gibbs Ensemble Monte Carlo Simulation of Polymers

Journal of Chemical Physics

Theoretical Chemistry

English

Grand-Canonical Monte Carlo Study of 1-Dimensional Nonintersecting Interfaces.

Nihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B

Condensed Matter Physics

Mechanical Engineering

English

Monte Carlo Simulation and Free Energies of Mixed Oxide Nanoparticles

Physical Chemistry Chemical Physics

Theoretical Chemistry

English

Investigation of Methane Adsorption on Chlorite by Grand Canonical Monte Carlo Simulations

Petroleum Science

Geotechnical Engineering

Energy Engineering

Fuel Technology

Engineering Geology

Economic Geology

Power Technology

English

Monte Carlo Methodology for Grand Canonical Simulations of Vacancies at Crystalline Defects

English

Adsorption of Thiophene in McM-22 Zeolite by Grand Canonical Monte Carlo Simulation

Asian Journal of Chemistry

English

Universal Finite-Size Scaling Amplitudes of Interfacial Free Energies in Monte Carlo Simulations

Journal of Physics A: Mathematical and General

English

A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Competitive Adsorption of Xenon and Argon in Zeolite NaA. 129Xe Nuclear Magnetic Resonance Studies and Grand Canonical Monte Carlo Simulations

Journal of Chemical Physics

Theoretical Chemistry

English