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The Journal of Chemical Physics
|
April 2, 2022
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
Benjamin X Shi, Venkat Kapil, Andrea Zen, et al.
The Journal of Chemical Physics
|
October 2, 2017
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
Martin Fitzner, Laurent Joly, Ming Ma, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 13, 2018
Fast and accurate quantum Monte Carlo for molecular crystals
Andrea Zen, Jan Gerit Brandenburg, Jiří Klimeš, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2011
Proton ordering in cubic ice and hexagonal ice; a potential new ice phase--XIc
Zamaan Raza, Dario Alfè, Christoph G Salzmann, et al.
The Journal of Chemical Physics
|
December 2, 2020
The color center singlet state of oxygen vacancies in TiO<sub>2</sub>
Ji Chen, Nikolay A Bogdanov, Denis Usvyat, et al.
The Journal of Physical Chemistry Letters
|
May 20, 2016
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs
Wei Fang, Ji Chen, Mariana Rossi, et al.
Nature
|
December 2, 2025
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Surface energy and surface proton order of the ice Ih basal and prism surfaces
Ding Pan, Li-Min Liu, Gareth A Tribello, et al.
The Journal of Chemical Physics
|
May 17, 2015
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
Yasmine S Al-Hamdani, Ming Ma, Dario Alfè, et al.
Journal of the American Chemical Society
|
May 8, 2003
New insights into ethene epoxidation on two oxidized Ag[111] surfaces
Marie-Laure Bocquet, Angelos Michaelides, David Loffreda, et al.
Page
of 20
Search research articles
Search
Showing results (111-120 of 197) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
April 2, 2022
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides
Benjamin X Shi, Venkat Kapil, Andrea Zen, et al.
The Journal of Chemical Physics
|
October 2, 2017
Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces
Martin Fitzner, Laurent Joly, Ming Ma, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
February 13, 2018
Fast and accurate quantum Monte Carlo for molecular crystals
Andrea Zen, Jan Gerit Brandenburg, Jiří Klimeš, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2011
Proton ordering in cubic ice and hexagonal ice; a potential new ice phase--XIc
Zamaan Raza, Dario Alfè, Christoph G Salzmann, et al.
The Journal of Chemical Physics
|
December 2, 2020
The color center singlet state of oxygen vacancies in TiO<sub>2</sub>
Ji Chen, Nikolay A Bogdanov, Denis Usvyat, et al.
The Journal of Physical Chemistry Letters
|
May 20, 2016
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs
Wei Fang, Ji Chen, Mariana Rossi, et al.
Nature
|
December 2, 2025
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
Venkat Kapil, Christoph Schran, Andrea Zen, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Surface energy and surface proton order of the ice Ih basal and prism surfaces
Ding Pan, Li-Min Liu, Gareth A Tribello, et al.
The Journal of Chemical Physics
|
May 17, 2015
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
Yasmine S Al-Hamdani, Ming Ma, Dario Alfè, et al.
Journal of the American Chemical Society
|
May 8, 2003
New insights into ethene epoxidation on two oxidized Ag[111] surfaces
Marie-Laure Bocquet, Angelos Michaelides, David Loffreda, et al.
Page
of 20