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Physical Chemistry Chemical Physics : PCCP
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November 4, 2020
High level <i>ab initio</i> investigation of the catalytic effect of water on formic acid decomposition and isomerization
Mark E Wolf, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
January 1, 2022
Cumulants as the variables of density cumulant theory: A path to Hermitian triples
Jonathon P Misiewicz, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
May 22, 2017
The fate of the tert-butyl radical in low-temperature autoignition reactions
Kevin B Moore, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
November 10, 2016
Investigating the ground-state rotamers of n-propylperoxy radical
Preston R Hoobler, Justin M Turney, Henry F Schaefer
Journal of Chemical Theory and Computation
|
September 23, 2024
Automatic Differentiation for Explicitly Correlated MP2
Erica C Mitchell, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
April 20, 2005
The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them
Justin M Turney, Levent Sari, Yukio Yamaguchi, et al.
The Journal of Chemical Physics
|
May 8, 2012
The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
February 15, 2017
Structural Distortions Accompanying Noncovalent Interactions: Methane-Water, the Simplest C-H Hydrogen Bond
Herzain I Rivera-Arrieta, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
February 16, 2010
The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN(2)
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
September 9, 2016
Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds
Xiao Wang, Alexander Yu Sokolov, Justin M Turney, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 67) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2020
High level <i>ab initio</i> investigation of the catalytic effect of water on formic acid decomposition and isomerization
Mark E Wolf, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
January 1, 2022
Cumulants as the variables of density cumulant theory: A path to Hermitian triples
Jonathon P Misiewicz, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
May 22, 2017
The fate of the tert-butyl radical in low-temperature autoignition reactions
Kevin B Moore, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
November 10, 2016
Investigating the ground-state rotamers of n-propylperoxy radical
Preston R Hoobler, Justin M Turney, Henry F Schaefer
Journal of Chemical Theory and Computation
|
September 23, 2024
Automatic Differentiation for Explicitly Correlated MP2
Erica C Mitchell, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
April 20, 2005
The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them
Justin M Turney, Levent Sari, Yukio Yamaguchi, et al.
The Journal of Chemical Physics
|
May 8, 2012
The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
February 15, 2017
Structural Distortions Accompanying Noncovalent Interactions: Methane-Water, the Simplest C-H Hydrogen Bond
Herzain I Rivera-Arrieta, Justin M Turney, Henry F Schaefer
The Journal of Chemical Physics
|
February 16, 2010
The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN(2)
Uğur Bozkaya, Justin M Turney, Yukio Yamaguchi, et al.
Journal of Chemical Theory and Computation
|
September 9, 2016
Spin-Adapted Formulation and Implementation of Density Cumulant Functional Theory with Density-Fitting Approximation: Application to Transition Metal Compounds
Xiao Wang, Alexander Yu Sokolov, Justin M Turney, et al.
Page
of 7