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The Journal of Chemical Physics
|
July 10, 2024
MolSym: A Python package for handling symmetry in molecular quantum chemistry
Stephen M Goodlett, Nathaniel L Kitzmiller, Justin M Turney, et al.
Molecules (Basel, Switzerland)
|
September 14, 2024
Trinuclear and Tetranuclear Ruthenium Carbonyl Nitrosyls: Oxidation of a Carbonyl Ligand by an Adjacent Nitrosyl Ligand
Shengchun Chen, Xuejun Feng, Yaoming Xie, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2024
Reactivity in Friedel-Crafts aromatic benzylation: the role of the electrophilic reactant
Diana Cheshmedzhieva, Ivan Atanasov, Sonia Ilieva, et al.
The Journal of Physical Chemistry. A
|
November 14, 2018
Mechanisms of the Ethynyl Radical Reaction with Molecular Oxygen
Michael C Bowman, Alexandra D Burke, Justin M Turney, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 12, 2012
The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods
Guoliang Li, Liqing Zhou, Qian-Shu Li, et al.
Inorganic Chemistry
|
December 28, 2020
Binuclear Cobalt Paddlewheel-Type Complexes: Relating Metal-Metal Bond Lengths to Formal Bond Orders
Fitzerald Hujon, R H Duncan Lyngdoh, Henry F Schaefer, et al.
ACS Earth & Space Chemistry
|
July 24, 2024
Ethynyl Radical Hydrogen Abstraction Energetics and Kinetics Utilizing High-Level Theory
Laura N Olive, Alexandra D Heide, Justin M Turney, et al.
Journal of Computational Chemistry
|
October 30, 2015
Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2
Jenn-Huei Lii, Norman L Allinger, Ching-Han Hu, et al.
The Journal of Chemical Physics
|
May 17, 2014
An efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh Ewald
Andrew C Simmonett, Frank C Pickard, Henry F Schaefer, et al.
Chemistry, an Asian Journal
|
April 15, 2010
Heptahapticity in binuclear (cycloheptatrienyl)molybdenum carbonyl derivatives: the interplay between ring hapticity/planarity and metal-metal multiple bonding
Xuejun Feng, Chanyuan Xie, Yaoming Xie, et al.
Page
of 57
Search research articles
Search
Showing results (271-280 of 570) with videos related to
Sort By:
Page
of 57
The Journal of Chemical Physics
|
July 10, 2024
MolSym: A Python package for handling symmetry in molecular quantum chemistry
Stephen M Goodlett, Nathaniel L Kitzmiller, Justin M Turney, et al.
Molecules (Basel, Switzerland)
|
September 14, 2024
Trinuclear and Tetranuclear Ruthenium Carbonyl Nitrosyls: Oxidation of a Carbonyl Ligand by an Adjacent Nitrosyl Ligand
Shengchun Chen, Xuejun Feng, Yaoming Xie, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2024
Reactivity in Friedel-Crafts aromatic benzylation: the role of the electrophilic reactant
Diana Cheshmedzhieva, Ivan Atanasov, Sonia Ilieva, et al.
The Journal of Physical Chemistry. A
|
November 14, 2018
Mechanisms of the Ethynyl Radical Reaction with Molecular Oxygen
Michael C Bowman, Alexandra D Burke, Justin M Turney, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 12, 2012
The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods
Guoliang Li, Liqing Zhou, Qian-Shu Li, et al.
Inorganic Chemistry
|
December 28, 2020
Binuclear Cobalt Paddlewheel-Type Complexes: Relating Metal-Metal Bond Lengths to Formal Bond Orders
Fitzerald Hujon, R H Duncan Lyngdoh, Henry F Schaefer, et al.
ACS Earth & Space Chemistry
|
July 24, 2024
Ethynyl Radical Hydrogen Abstraction Energetics and Kinetics Utilizing High-Level Theory
Laura N Olive, Alexandra D Heide, Justin M Turney, et al.
Journal of Computational Chemistry
|
October 30, 2015
Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13-13 D2
Jenn-Huei Lii, Norman L Allinger, Ching-Han Hu, et al.
The Journal of Chemical Physics
|
May 17, 2014
An efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh Ewald
Andrew C Simmonett, Frank C Pickard, Henry F Schaefer, et al.
Chemistry, an Asian Journal
|
April 15, 2010
Heptahapticity in binuclear (cycloheptatrienyl)molybdenum carbonyl derivatives: the interplay between ring hapticity/planarity and metal-metal multiple bonding
Xuejun Feng, Chanyuan Xie, Yaoming Xie, et al.
Page
of 57