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Journal of Computational Chemistry
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April 19, 2025
Giant Dipole Moments: Remarkable Effects Mono-, Di-, and Tri- Hydrated 5,6-Diaminobenzene-1,2,3,4-Tetracarbonnitrile
Katherine Stanley, R Houston Givhan, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
May 8, 2012
Infrared laser spectroscopy of the CH3OO radical formed from the reaction of CH3 and O2 within a helium nanodroplet
Alexander M Morrison, Jay Agarwal, Henry F Schaefer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 31, 2002
Molecules for materials: structures, thermochemistry, and electron affinities of the digermanium fluorides Ge2Fn/Ge2Fn- (n = 1-6): a wealth of unusual structures
Qianshu Li, Guoliang Li, Wenguo Xu, et al.
Journal of the American Chemical Society
|
May 16, 2002
What is the nature of polyacetylene neutral and anionic chains HC(2n)H and HC(2n)H(-) (n = 6-12) that have recently been observed?
Lubos Horný, Nicholas D K Petraco, Chaeho Pak, et al.
The Journal of Organic Chemistry
|
May 28, 2015
Mechanistic Investigations of the AuCl3-Catalyzed Nitrene Insertion into an Aromatic C-H Bond of Mesitylene
Kaipeng Hou, Miao Qi, Jiajun Liu, 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.
Inorganic Chemistry
|
July 17, 2018
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst
Longfei Li, Ming Lei, Li Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2017
The water dimer reaction OH + (H<sub>2</sub>O)<sub>2</sub> → (H<sub>2</sub>O)-OH + H<sub>2</sub>O
Aifang Gao, Guoliang Li, Bin Peng, et al.
Inorganic Chemistry
|
June 19, 2018
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its Al, Ga, In, and Tl Congeners
Longfei Li, Ming Lei, Yaoming Xie, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Energy Difference between the Triply-Bridged and All-Terminal Structures of Co₄(CO)₁₂, Rh₄(CO)₁₂, and Ir₄(CO)₁₂: A Difficult Test for Conventional Density Functional Methods
Hairong Ding, Yunxiang Lu, Yaoming Xie, et al.
Page
of 57
Search research articles
Search
Showing results (231-240 of 570) with videos related to
Sort By:
Page
of 57
Journal of Computational Chemistry
|
April 19, 2025
Giant Dipole Moments: Remarkable Effects Mono-, Di-, and Tri- Hydrated 5,6-Diaminobenzene-1,2,3,4-Tetracarbonnitrile
Katherine Stanley, R Houston Givhan, Justin M Turney, et al.
The Journal of Physical Chemistry. A
|
May 8, 2012
Infrared laser spectroscopy of the CH3OO radical formed from the reaction of CH3 and O2 within a helium nanodroplet
Alexander M Morrison, Jay Agarwal, Henry F Schaefer, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 31, 2002
Molecules for materials: structures, thermochemistry, and electron affinities of the digermanium fluorides Ge2Fn/Ge2Fn- (n = 1-6): a wealth of unusual structures
Qianshu Li, Guoliang Li, Wenguo Xu, et al.
Journal of the American Chemical Society
|
May 16, 2002
What is the nature of polyacetylene neutral and anionic chains HC(2n)H and HC(2n)H(-) (n = 6-12) that have recently been observed?
Lubos Horný, Nicholas D K Petraco, Chaeho Pak, et al.
The Journal of Organic Chemistry
|
May 28, 2015
Mechanistic Investigations of the AuCl3-Catalyzed Nitrene Insertion into an Aromatic C-H Bond of Mesitylene
Kaipeng Hou, Miao Qi, Jiajun Liu, 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.
Inorganic Chemistry
|
July 17, 2018
Metal-Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst
Longfei Li, Ming Lei, Li Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 6, 2017
The water dimer reaction OH + (H<sub>2</sub>O)<sub>2</sub> → (H<sub>2</sub>O)-OH + H<sub>2</sub>O
Aifang Gao, Guoliang Li, Bin Peng, et al.
Inorganic Chemistry
|
June 19, 2018
Quantitative Theoretical Predictions and Qualitative Bonding Analysis of the Divinylborinium System and Its Al, Ga, In, and Tl Congeners
Longfei Li, Ming Lei, Yaoming Xie, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
The Energy Difference between the Triply-Bridged and All-Terminal Structures of Co₄(CO)₁₂, Rh₄(CO)₁₂, and Ir₄(CO)₁₂: A Difficult Test for Conventional Density Functional Methods
Hairong Ding, Yunxiang Lu, Yaoming Xie, et al.
Page
of 57