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Journal of Computational Chemistry
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November 8, 2025
Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals
Erica C Mitchell, Lucas Azevedo Santos, Pascal Vermeeren, et al.
The Journal of Physical Chemistry. A
|
December 26, 2025
Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions
Ethan J Poncelet, Mitchell E Lahm, Anna G Poncelet, et al.
The Journal of Organic Chemistry
|
October 4, 1996
Carbene Rearrangements Unsurpassed: Details of the C(7)H(6) Potential Energy Surface Revealed
Peter R. Schreiner, William L. Karney, Paul von Ragué Schleyer, et al.
The Journal of Chemical Physics
|
January 17, 2020
Sulfurous and sulfonic acids: Predicting the infrared spectrum and setting the surface straight
Jonathon P Misiewicz, Kevin B Moore, Peter R Franke, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2023
The highly exothermic hydrogen abstraction reaction H<sub>2</sub>Te + OH → H<sub>2</sub>O + TeH: comparison with analogous reactions for H<sub>2</sub>Se and H<sub>2</sub>S
Mei Tang, Guoliang Li, Minggang Guo, et al.
The Journal of Chemical Physics
|
January 8, 2018
Reinterpreting the infrared spectrum of H + HCN: Methylene amidogen radical and its coproducts
Avery E Wiens, Andreas V Copan, Elliot C Rossomme, et al.
Journal of the American Chemical Society
|
May 9, 2017
A Stable Anionic Dithiolene Radical
Yuzhong Wang, Hunter P Hickox, Yaoming Xie, et al.
The Journal of Physical Chemistry. A
|
January 16, 2024
Structures and Energetics of E<sub>2</sub>H<sub>3</sub><sup>+</sup> (E = As, Sb, and Bi) Cations
Shu-Hua Xia, Jihuan He, Zhuoqun Liu, et al.
The Journal of Physical Chemistry. A
|
July 30, 2009
The geometry and electronic topology of higher-order charged Möbius annulenes
Chaitanya S Wannere, Henry S Rzepa, B Christopher Rinderspacher, et al.
RSC Advances
|
February 25, 2025
Alkyne dichotomy and hydrogen migration in binuclear cyclopentadienylmetal alkyne complexes
Huidong Li, Jinfeng Luo, Haoyu Chen, et al.
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Search research articles
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Showing results (531-540 of 570) with videos related to
Sort By:
Page
of 57
Journal of Computational Chemistry
|
November 8, 2025
Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals
Erica C Mitchell, Lucas Azevedo Santos, Pascal Vermeeren, et al.
The Journal of Physical Chemistry. A
|
December 26, 2025
Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions
Ethan J Poncelet, Mitchell E Lahm, Anna G Poncelet, et al.
The Journal of Organic Chemistry
|
October 4, 1996
Carbene Rearrangements Unsurpassed: Details of the C(7)H(6) Potential Energy Surface Revealed
Peter R. Schreiner, William L. Karney, Paul von Ragué Schleyer, et al.
The Journal of Chemical Physics
|
January 17, 2020
Sulfurous and sulfonic acids: Predicting the infrared spectrum and setting the surface straight
Jonathon P Misiewicz, Kevin B Moore, Peter R Franke, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 15, 2023
The highly exothermic hydrogen abstraction reaction H<sub>2</sub>Te + OH → H<sub>2</sub>O + TeH: comparison with analogous reactions for H<sub>2</sub>Se and H<sub>2</sub>S
Mei Tang, Guoliang Li, Minggang Guo, et al.
The Journal of Chemical Physics
|
January 8, 2018
Reinterpreting the infrared spectrum of H + HCN: Methylene amidogen radical and its coproducts
Avery E Wiens, Andreas V Copan, Elliot C Rossomme, et al.
Journal of the American Chemical Society
|
May 9, 2017
A Stable Anionic Dithiolene Radical
Yuzhong Wang, Hunter P Hickox, Yaoming Xie, et al.
The Journal of Physical Chemistry. A
|
January 16, 2024
Structures and Energetics of E<sub>2</sub>H<sub>3</sub><sup>+</sup> (E = As, Sb, and Bi) Cations
Shu-Hua Xia, Jihuan He, Zhuoqun Liu, et al.
The Journal of Physical Chemistry. A
|
July 30, 2009
The geometry and electronic topology of higher-order charged Möbius annulenes
Chaitanya S Wannere, Henry S Rzepa, B Christopher Rinderspacher, et al.
RSC Advances
|
February 25, 2025
Alkyne dichotomy and hydrogen migration in binuclear cyclopentadienylmetal alkyne complexes
Huidong Li, Jinfeng Luo, Haoyu Chen, et al.
Page
of 57