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The Journal of Chemical Physics
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August 3, 2011
Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt
J Grant Hill
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2014
The halogen bond in thiirane···ClF: an example of a Mulliken inner complex
J Grant Hill
Journal of Computational Chemistry
|
July 6, 2013
Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd
J Grant Hill
The Journal of Chemical Physics
|
March 15, 2024
Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga-Kr, In-Xe, and Tl-Rn
J Grant Hill
Journal of Chemical Theory and Computation
|
November 18, 2015
Auxiliary Basis Sets for Density Fitting in Explicitly Correlated Calculations: The Atoms H-Ar
Stella Kritikou, J Grant Hill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 19, 2013
Theoretical insights into the nature of halogen bonding in prereactive complexes
J Grant Hill, Xiaojun Hu
The Journal of Physical Chemistry. A
|
March 6, 2014
(π*,σ*), (σ*,π*) and Rydberg triplet excited states of hydrogen peroxide and other molecules bearing two adjacent heteroatoms
J Grant Hill, Götz Bucher
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2014
Interaction in the indole···imidazole heterodimer: structure, Franck-Condon analysis and energy decomposition
J Grant Hill, Aloke Das
The Journal of Chemical Physics
|
November 7, 2021
Correlation consistent basis sets for explicitly correlated wavefunctions: Pseudopotential-based basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
J Grant Hill, Robert A Shaw
The Journal of Chemical Physics
|
February 6, 2008
Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn
J Grant Hill, James A Platts
Page
of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
The Journal of Chemical Physics
|
August 3, 2011
Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt
J Grant Hill
Physical Chemistry Chemical Physics : PCCP
|
August 9, 2014
The halogen bond in thiirane···ClF: an example of a Mulliken inner complex
J Grant Hill
Journal of Computational Chemistry
|
July 6, 2013
Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd
J Grant Hill
The Journal of Chemical Physics
|
March 15, 2024
Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga-Kr, In-Xe, and Tl-Rn
J Grant Hill
Journal of Chemical Theory and Computation
|
November 18, 2015
Auxiliary Basis Sets for Density Fitting in Explicitly Correlated Calculations: The Atoms H-Ar
Stella Kritikou, J Grant Hill
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 19, 2013
Theoretical insights into the nature of halogen bonding in prereactive complexes
J Grant Hill, Xiaojun Hu
The Journal of Physical Chemistry. A
|
March 6, 2014
(π*,σ*), (σ*,π*) and Rydberg triplet excited states of hydrogen peroxide and other molecules bearing two adjacent heteroatoms
J Grant Hill, Götz Bucher
Physical Chemistry Chemical Physics : PCCP
|
May 13, 2014
Interaction in the indole···imidazole heterodimer: structure, Franck-Condon analysis and energy decomposition
J Grant Hill, Aloke Das
The Journal of Chemical Physics
|
November 7, 2021
Correlation consistent basis sets for explicitly correlated wavefunctions: Pseudopotential-based basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
J Grant Hill, Robert A Shaw
The Journal of Chemical Physics
|
February 6, 2008
Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn
J Grant Hill, James A Platts
Page
of 6