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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 Physical Chemistry. A
|
February 15, 2013
Formylmethylene: the triplet ground state and the lowest singlet state
Jun Guan, Katherine R Randall, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Assessing alkyl-, silyl-, and halo-substituent effects on the electron affinities of silyl radicals
Joseph D Larkin, Charles W Bock, Henry F Schaefer Iii
Inorganic Chemistry
|
January 17, 1996
The S(6) Point Group Conformers of the Hexamethylchalcogens: Me(6)S, Me(6)Se, Me(6)Te
Joseph E. Fowler, Henry F. Schaefer III, Kenneth N. Raymond
Journal of the American Chemical Society
|
August 18, 2005
Binuclear cyclopentadienylcobalt carbonyls: comparison with binuclear iron carbonyls
Hongyan Wang, Yaoming Xie, R Bruce King, et al.
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.
Inorganic Chemistry
|
December 19, 2006
Manganese carbonyl nitrosyls: comparison with isoelectronic iron carbonyl derivatives
Hongyan Wang, Yaoming Xie, R Bruce King, 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.
Inorganic Chemistry
|
January 6, 2012
Stannylenes: structures, electron affinities, ionization energies, and singlet-triplet gaps of SnX2/SnXY and XSnR/SnR2/RSnR′ species (X; Y = H, F, Cl, Br, I, and R; R' = CH3, SiH3, GeH3, SnH3)
Ashwini Bundhun, Ponnadurai Ramasami, Peter P Gaspar, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 30, 2010
Hydroxyl radical reactions with adenine: reactant complexes, transition states, and product complexes
Qianyi Cheng, Jiande Gu, Katherine R Compaan, et al.
Page
of 57
Search research articles
Search
Showing results (171-180 of 570) with videos related to
Sort By:
Page
of 57
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 Physical Chemistry. A
|
February 15, 2013
Formylmethylene: the triplet ground state and the lowest singlet state
Jun Guan, Katherine R Randall, Henry F Schaefer, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Assessing alkyl-, silyl-, and halo-substituent effects on the electron affinities of silyl radicals
Joseph D Larkin, Charles W Bock, Henry F Schaefer Iii
Inorganic Chemistry
|
January 17, 1996
The S(6) Point Group Conformers of the Hexamethylchalcogens: Me(6)S, Me(6)Se, Me(6)Te
Joseph E. Fowler, Henry F. Schaefer III, Kenneth N. Raymond
Journal of the American Chemical Society
|
August 18, 2005
Binuclear cyclopentadienylcobalt carbonyls: comparison with binuclear iron carbonyls
Hongyan Wang, Yaoming Xie, R Bruce King, et al.
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.
Inorganic Chemistry
|
December 19, 2006
Manganese carbonyl nitrosyls: comparison with isoelectronic iron carbonyl derivatives
Hongyan Wang, Yaoming Xie, R Bruce King, 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.
Inorganic Chemistry
|
January 6, 2012
Stannylenes: structures, electron affinities, ionization energies, and singlet-triplet gaps of SnX2/SnXY and XSnR/SnR2/RSnR′ species (X; Y = H, F, Cl, Br, I, and R; R' = CH3, SiH3, GeH3, SnH3)
Ashwini Bundhun, Ponnadurai Ramasami, Peter P Gaspar, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 30, 2010
Hydroxyl radical reactions with adenine: reactant complexes, transition states, and product complexes
Qianyi Cheng, Jiande Gu, Katherine R Compaan, et al.
Page
of 57