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Proceedings of the National Academy of Sciences of the United States of America
|
November 22, 2017
Energy decomposition analysis of single bonds within Kohn-Sham density functional theory
Daniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics
|
August 27, 2005
A local correlation model that yields intrinsically smooth potential-energy surfaces
Joseph E Subotnik, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2006
Consequences of chain networks on thermodynamic, dielectric and structural properties for liquid water
Teresa Head-Gordon, Steven W Rick
Journal of the American Chemical Society
|
October 19, 2006
Charge penetration and the origin of large O-H vibrational red-shifts in hydrated-electron clusters, (H2O)n-
John M Herbert, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 6, 2010
Ab initio calculations on the electronically excited states of small helium clusters
Kristina D Closser, Martin Head-Gordon
The Journal of Chemical Physics
|
June 20, 2023
Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energy
Kevin Carter-Fenk, Martin Head-Gordon
Journal of the American Chemical Society
|
March 5, 2008
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: oxidation state dependent plasticity and the formation of a singlet diradicaloid
Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
February 12, 2008
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integrals
Anthony D Dutoi, Martin Head-Gordon
Chemical Reviews
|
August 13, 2025
Introduction: Electric Fields in Chemistry and Biology
Steven G Boxer, Teresa Head-Gordon
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of 65
Search research articles
Search
Showing results (131-140 of 649) with videos related to
Sort By:
Page
of 65
Proceedings of the National Academy of Sciences of the United States of America
|
November 22, 2017
Energy decomposition analysis of single bonds within Kohn-Sham density functional theory
Daniel S Levine, Martin Head-Gordon
The Journal of Chemical Physics
|
August 27, 2005
A local correlation model that yields intrinsically smooth potential-energy surfaces
Joseph E Subotnik, Martin Head-Gordon
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2006
Consequences of chain networks on thermodynamic, dielectric and structural properties for liquid water
Teresa Head-Gordon, Steven W Rick
Journal of the American Chemical Society
|
October 19, 2006
Charge penetration and the origin of large O-H vibrational red-shifts in hydrated-electron clusters, (H2O)n-
John M Herbert, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
August 6, 2010
Ab initio calculations on the electronically excited states of small helium clusters
Kristina D Closser, Martin Head-Gordon
The Journal of Chemical Physics
|
June 20, 2023
Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energy
Kevin Carter-Fenk, Martin Head-Gordon
Journal of the American Chemical Society
|
March 5, 2008
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: oxidation state dependent plasticity and the formation of a singlet diradicaloid
Young Min Rhee, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
February 12, 2008
A study of the effect of attenuation curvature on molecular correlation energies by introducing an explicit cutoff radius into two-electron integrals
Anthony D Dutoi, Martin Head-Gordon
Chemical Reviews
|
August 13, 2025
Introduction: Electric Fields in Chemistry and Biology
Steven G Boxer, Teresa Head-Gordon
Page
of 65