4.7 Article

First-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Atomic layer deposition of hafnium oxide from hafnium chloride and water

Atashi B. Mukhopadhyay et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Editorial Material Multidisciplinary Sciences

Frontiers in surface scattering simulations

Geert-Jan Kroes

SCIENCE (2008)

Review Physics, Multidisciplinary

Progress in the measurement and modeling of physisorbed layers

L. W. Bruch et al.

REVIEWS OF MODERN PHYSICS (2007)

Article Materials Science, Multidisciplinary

Joint density-functional theory for electronic structure of solvated systems

S. A. Petrosyan et al.

PHYSICAL REVIEW B (2007)

Article Chemistry, Physical

Stacking of oligo- and polythiophene cations in solution: Surface tension and dielectric saturation

Damian A. Scherlis et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

A unified electrostatic and cavitation model for first-principles molecular dynamics in solution

DA Scherlis et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Review Chemistry, Multidisciplinary

Quantum mechanical continuum solvation models

J Tomasi et al.

CHEMICAL REVIEWS (2005)

Article Materials Science, Multidisciplinary

Exothermic water dissociation on the rutile TiO2(110) surface -: art. no. 075439

PJD Lindan et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Multidisciplinary

High purity anatase TiO2 nanocrystals:: Near room-temperature synthesis, grain growth kinetics, and surface hydration chemistry

GS Li et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Physical

Structure and reactivity of water layers on defect-free and defective anatase TiO2(101) surfaces

A Tilocca et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

Article Chemistry, Physical

First-principles molecular dynamics simulations in a continuum solvent

JL Fattebert et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)

Article Chemistry, Physical

Ab initio molecular dynamics with a continuum solvation model

HM Senn et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Chemistry, Multidisciplinary

Density functional theory for efficient ab initio molecular dynamics simulations in solution

JL Fattebert et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)

Article Physics, Multidisciplinary

Oxygen vacancies as active sites for water dissociation on rutile TiO2(110) -: art. no. 266104

R Schaub et al.

PHYSICAL REVIEW LETTERS (2001)

Article Chemistry, Physical

A plane wave implementation of the polarizable continuum model

F De Angelis et al.

CHEMICAL PHYSICS LETTERS (2000)