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The Journal of Chemical Physics
|
April 8, 2025
Systematic characterization of the homogeneous and heterogeneous hydrogen halide dimers
Yuan Xue, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
March 22, 2016
Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies
Eric Van Dornshuld, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
June 2, 2022
Characterization of Competing Halogen- and Hydrogen-Bonding Motifs in Simple Mixed Dimers of HCN and HX (X = F, Cl, Br, and I)
Morgan A Perkins, Gregory S Tschumper
Journal of Computational Chemistry
|
August 20, 2003
A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systems
Brian W Hopkins, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
July 8, 2024
Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF<sub>5</sub><sup>-</sup> and SiF<sub>6</sub><sup>2-</sup> via Comparisons with BF<sub>4</sub><sup>-</sup> and PF<sub>6</sub><sup></sup>
Jacquelyn J Mosely, Gregory S Tschumper
Journal of Computational Chemistry
|
January 10, 2018
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?
Sarah N Johnson, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
June 2, 2006
Characterizing the potential energy surface of the water dimer with DFT: failures of some popular functionals for hydrogen bonding
Julie A Anderson, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
November 24, 2015
Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices
Kari L Copeland, Gregory S Tschumper
The Journal of Chemical Physics
|
December 11, 2013
N-body:Many-body QM:QM vibrational frequencies: application to small hydrogen-bonded clusters
J Coleman Howard, Gregory S Tschumper
Journal of Computational Chemistry
|
October 29, 2018
Examination of the structures, energetics, and vibrational frequencies of small sulfur-containing prototypical dimers, (H<sub>2</sub> S)<sub>2</sub> and H<sub>2</sub> O/H<sub>2</sub> S
Katelyn M Dreux, Gregory S Tschumper
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of 8
Search research articles
Search
Showing results (1-10 of 73) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
April 8, 2025
Systematic characterization of the homogeneous and heterogeneous hydrogen halide dimers
Yuan Xue, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
March 22, 2016
Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies
Eric Van Dornshuld, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
June 2, 2022
Characterization of Competing Halogen- and Hydrogen-Bonding Motifs in Simple Mixed Dimers of HCN and HX (X = F, Cl, Br, and I)
Morgan A Perkins, Gregory S Tschumper
Journal of Computational Chemistry
|
August 20, 2003
A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systems
Brian W Hopkins, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
July 8, 2024
Probing the Effects of Size and Charge on the Monohydration and Dihydration of SiF<sub>5</sub><sup>-</sup> and SiF<sub>6</sub><sup>2-</sup> via Comparisons with BF<sub>4</sub><sup>-</sup> and PF<sub>6</sub><sup></sup>
Jacquelyn J Mosely, Gregory S Tschumper
Journal of Computational Chemistry
|
January 10, 2018
Hydrogen bonding in the mixed HF/HCl dimer: Is it better to give or receive?
Sarah N Johnson, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
June 2, 2006
Characterizing the potential energy surface of the water dimer with DFT: failures of some popular functionals for hydrogen bonding
Julie A Anderson, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
November 24, 2015
Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices
Kari L Copeland, Gregory S Tschumper
The Journal of Chemical Physics
|
December 11, 2013
N-body:Many-body QM:QM vibrational frequencies: application to small hydrogen-bonded clusters
J Coleman Howard, Gregory S Tschumper
Journal of Computational Chemistry
|
October 29, 2018
Examination of the structures, energetics, and vibrational frequencies of small sulfur-containing prototypical dimers, (H<sub>2</sub> S)<sub>2</sub> and H<sub>2</sub> O/H<sub>2</sub> S
Katelyn M Dreux, Gregory S Tschumper
Page
of 8