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Journal of the American Chemical Society
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July 12, 2022
Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid Water
Yonghwan Yun, Rustam Z Khaliullin, Yousung Jung
The Journal of Physical Chemistry. A
|
August 31, 2018
Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water
Yifei Shi, Hayden Scheiber, Rustam Z Khaliullin
The Journal of Chemical Physics
|
June 25, 2018
Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systems
Hayden Scheiber, Yifei Shi, Rustam Z Khaliullin
The Journal of Physical Chemistry Letters
|
November 8, 2021
Adatoms in the Surface-Confined Ullmann Coupling of Phenyl Groups
Zhenzhe Zhang, Dmitrii F Perepichka, Rustam Z Khaliullin
The Journal of Chemical Physics
|
December 16, 2014
On the role of interfacial hydrogen bonds in "on-water" catalysis
Kristof Karhan, Rustam Z Khaliullin, Thomas D Kühne
Nature Communications
|
September 16, 2015
Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments
Hossam Elgabarty, Rustam Z Khaliullin, Thomas D Kühne
The Journal of Chemical Physics
|
June 16, 2006
An efficient self-consistent field method for large systems of weakly interacting components
Rustam Z Khaliullin, Martin Head-Gordon, Alexis T Bell
The Journal of Physical Chemistry. B
|
July 21, 2006
A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2
Rustam Z Khaliullin, Alexis T Bell, Martin Head-Gordon
Inorganic Chemistry
|
April 22, 2008
Interaction of molecular hydrogen with open transition metal centers for enhanced binding in metal-organic frameworks: a computational study
Rohini C Lochan, Rustam Z Khaliullin, Martin Head-Gordon
The Journal of Chemical Physics
|
June 6, 2008
Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals
Rustam Z Khaliullin, Alexis T Bell, Martin Head-Gordon
Page
of 5
Search research articles
Search
Showing results (11-20 of 42) with videos related to
Sort By:
Page
of 5
Journal of the American Chemical Society
|
July 12, 2022
Correlated Local Fluctuations in the Hydrogen Bond Network of Liquid Water
Yonghwan Yun, Rustam Z Khaliullin, Yousung Jung
The Journal of Physical Chemistry. A
|
August 31, 2018
Contribution of the Covalent Component of the Hydrogen-Bond Network to the Properties of Liquid Water
Yifei Shi, Hayden Scheiber, Rustam Z Khaliullin
The Journal of Chemical Physics
|
June 25, 2018
Communication: Compact orbitals enable low-cost linear-scaling ab initio molecular dynamics for weakly-interacting systems
Hayden Scheiber, Yifei Shi, Rustam Z Khaliullin
The Journal of Physical Chemistry Letters
|
November 8, 2021
Adatoms in the Surface-Confined Ullmann Coupling of Phenyl Groups
Zhenzhe Zhang, Dmitrii F Perepichka, Rustam Z Khaliullin
The Journal of Chemical Physics
|
December 16, 2014
On the role of interfacial hydrogen bonds in "on-water" catalysis
Kristof Karhan, Rustam Z Khaliullin, Thomas D Kühne
Nature Communications
|
September 16, 2015
Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments
Hossam Elgabarty, Rustam Z Khaliullin, Thomas D Kühne
The Journal of Chemical Physics
|
June 16, 2006
An efficient self-consistent field method for large systems of weakly interacting components
Rustam Z Khaliullin, Martin Head-Gordon, Alexis T Bell
The Journal of Physical Chemistry. B
|
July 21, 2006
A density functional theory study of the mechanism of free radical generation in the system vanadate/PCA/H2O2
Rustam Z Khaliullin, Alexis T Bell, Martin Head-Gordon
Inorganic Chemistry
|
April 22, 2008
Interaction of molecular hydrogen with open transition metal centers for enhanced binding in metal-organic frameworks: a computational study
Rohini C Lochan, Rustam Z Khaliullin, Martin Head-Gordon
The Journal of Chemical Physics
|
June 6, 2008
Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals
Rustam Z Khaliullin, Alexis T Bell, Martin Head-Gordon
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of 5