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The Journal of Chemical Physics
|
January 14, 2012
Basis set dependence of higher-order correlation effects in π-type interactions
Emily J Carrell, Cara M Thorne, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
November 26, 2015
Efficient and Accurate Methods for the Geometry Optimization of Water Clusters: Application of Analytic Gradients for the Two-Body:Many-Body QM:QM Fragmentation Method to (H2O)n, n = 3-10
Desiree M Bates, Joshua R Smith, Gregory S Tschumper
The Journal of Chemical Physics
|
December 10, 2015
Assessing the accuracy of some popular DFT methods for computing harmonic vibrational frequencies of water clusters
J Coleman Howard, Jordan D Enyard, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
February 3, 2006
Reliable electron affinities of perfluorocyclopropane and perfluorocyclobutane from convergent ab initio computations
Adel M ElSohly, Macey L Renault, Gregory S Tschumper
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2011
Structures, energetics and vibrational frequency shifts of hydrated pyrimidine
J Coleman Howard, Nathan I Hammer, Gregory S Tschumper
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 27, 2014
Characterizing the B-P stretching vibration in phosphorus-substituted phosphine boranes
Dana N Reinemann, Gregory S Tschumper, Nathan I Hammer
The Journal of Physical Chemistry. A
|
June 10, 2010
Effects of hydrogen bonding on vibrational normal modes of pyrimidine
Austin A Howard, Gregory S Tschumper, Nathan I Hammer
Molecules (Basel, Switzerland)
|
July 13, 2019
<i>Cis/Trans</i> Energetics in Epoxide, Thiirane, Aziridine and Phosphirane Containing Cyclopentanols: Effects of Intramolecular OH⋯O, S, N and P Contacts
Ben E Smith, Jeremy M Carr, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
July 9, 2021
Torsional Profiles of Thiophene and Furan Oligomers: Probing the Effects of Heterogeneity and Chain Length
Morgan A Perkins, Laura M Cline, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
April 19, 2018
Dissociation Energy of the H<sub>2</sub>O···HF Dimer
Thomas More Sexton, J Coleman Howard, Gregory S Tschumper
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of 8
Search research articles
Search
Showing results (21-30 of 73) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
January 14, 2012
Basis set dependence of higher-order correlation effects in π-type interactions
Emily J Carrell, Cara M Thorne, Gregory S Tschumper
Journal of Chemical Theory and Computation
|
November 26, 2015
Efficient and Accurate Methods for the Geometry Optimization of Water Clusters: Application of Analytic Gradients for the Two-Body:Many-Body QM:QM Fragmentation Method to (H2O)n, n = 3-10
Desiree M Bates, Joshua R Smith, Gregory S Tschumper
The Journal of Chemical Physics
|
December 10, 2015
Assessing the accuracy of some popular DFT methods for computing harmonic vibrational frequencies of water clusters
J Coleman Howard, Jordan D Enyard, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
February 3, 2006
Reliable electron affinities of perfluorocyclopropane and perfluorocyclobutane from convergent ab initio computations
Adel M ElSohly, Macey L Renault, Gregory S Tschumper
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2011
Structures, energetics and vibrational frequency shifts of hydrated pyrimidine
J Coleman Howard, Nathan I Hammer, Gregory S Tschumper
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 27, 2014
Characterizing the B-P stretching vibration in phosphorus-substituted phosphine boranes
Dana N Reinemann, Gregory S Tschumper, Nathan I Hammer
The Journal of Physical Chemistry. A
|
June 10, 2010
Effects of hydrogen bonding on vibrational normal modes of pyrimidine
Austin A Howard, Gregory S Tschumper, Nathan I Hammer
Molecules (Basel, Switzerland)
|
July 13, 2019
<i>Cis/Trans</i> Energetics in Epoxide, Thiirane, Aziridine and Phosphirane Containing Cyclopentanols: Effects of Intramolecular OH⋯O, S, N and P Contacts
Ben E Smith, Jeremy M Carr, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
July 9, 2021
Torsional Profiles of Thiophene and Furan Oligomers: Probing the Effects of Heterogeneity and Chain Length
Morgan A Perkins, Laura M Cline, Gregory S Tschumper
The Journal of Physical Chemistry. A
|
April 19, 2018
Dissociation Energy of the H<sub>2</sub>O···HF Dimer
Thomas More Sexton, J Coleman Howard, Gregory S Tschumper
Page
of 8