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Journal of Chemical Theory and Computation
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March 6, 2026
Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ)
Andy Jiang, Devin A Matthews, David Poole, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:)
Qunyan Wu, Qiang Hao, Jeremiah J Wilke, et al.
Angewandte Chemie (International Ed. in English)
|
May 15, 2018
Stable Boron Dithiolene Radicals
Yuzhong Wang, Yaoming Xie, Pingrong Wei, et al.
The Journal of Chemical Physics
|
December 18, 2016
Infrared laser spectroscopy of the n-propyl and i-propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region
Peter R Franke, Daniel P Tabor, Christopher P Moradi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
A wealth of structures for the Ge<sub>2</sub>H<sub>2</sub><sup>+</sup> radical cation: comparison of theory and experiment
Ethan J Poncelet, Henry F Mull, Yohannes Abate, et al.
Chemical Science
|
February 29, 2020
Is silver a mere terminal oxidant in palladium catalyzed C-H bond activation reactions?
Bangaru Bhaskararao, Sukriti Singh, Megha Anand, et al.
Inorganic Chemistry
|
August 20, 2015
Electrocatalytic Reduction of Carbon Dioxide by Mn(CN)(2,2'-bipyridine)(CO)3: CN Coordination Alters Mechanism
Charles W Machan, Charles J Stanton, Jonathon E Vandezande, et al.
Chemical Communications (Cambridge, England)
|
April 6, 2016
Protonation of carbene-stabilized diphosphorus: complexation of HP2(+)
Yuzhong Wang, Hunter P Hickox, Yaoming Xie, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2003
Definitive ab initio studies of model SN2 reactions CH(3)X+F- (X=F, Cl, CN, OH, SH, NH(2), PH(2))
Jason M Gonzales, Chaeho Pak, R Sidney Cox, et al.
The Journal of Physical Chemistry. A
|
June 11, 2019
Tris(butadiene) Metal Complexes of the First-Row Transition Metals versus Coupling of Butadiene to Eight- and Twelve-Carbon Hydrocarbon Chains
Qunchao Fan, Huidong Li, Jia Fu, et al.
Page
of 57
Search research articles
Search
Showing results (521-530 of 570) with videos related to
Sort By:
Page
of 57
Journal of Chemical Theory and Computation
|
March 6, 2026
Local Pair Natural Orbital-Based Coupled-Cluster Theory through Full Quadruples (DLPNO-CCSDTQ)
Andy Jiang, Devin A Matthews, David Poole, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:)
Qunyan Wu, Qiang Hao, Jeremiah J Wilke, et al.
Angewandte Chemie (International Ed. in English)
|
May 15, 2018
Stable Boron Dithiolene Radicals
Yuzhong Wang, Yaoming Xie, Pingrong Wei, et al.
The Journal of Chemical Physics
|
December 18, 2016
Infrared laser spectroscopy of the n-propyl and i-propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region
Peter R Franke, Daniel P Tabor, Christopher P Moradi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2024
A wealth of structures for the Ge<sub>2</sub>H<sub>2</sub><sup>+</sup> radical cation: comparison of theory and experiment
Ethan J Poncelet, Henry F Mull, Yohannes Abate, et al.
Chemical Science
|
February 29, 2020
Is silver a mere terminal oxidant in palladium catalyzed C-H bond activation reactions?
Bangaru Bhaskararao, Sukriti Singh, Megha Anand, et al.
Inorganic Chemistry
|
August 20, 2015
Electrocatalytic Reduction of Carbon Dioxide by Mn(CN)(2,2'-bipyridine)(CO)3: CN Coordination Alters Mechanism
Charles W Machan, Charles J Stanton, Jonathon E Vandezande, et al.
Chemical Communications (Cambridge, England)
|
April 6, 2016
Protonation of carbene-stabilized diphosphorus: complexation of HP2(+)
Yuzhong Wang, Hunter P Hickox, Yaoming Xie, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 29, 2003
Definitive ab initio studies of model SN2 reactions CH(3)X+F- (X=F, Cl, CN, OH, SH, NH(2), PH(2))
Jason M Gonzales, Chaeho Pak, R Sidney Cox, et al.
The Journal of Physical Chemistry. A
|
June 11, 2019
Tris(butadiene) Metal Complexes of the First-Row Transition Metals versus Coupling of Butadiene to Eight- and Twelve-Carbon Hydrocarbon Chains
Qunchao Fan, Huidong Li, Jia Fu, et al.
Page
of 57