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Journal of Computational Chemistry
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April 30, 2003
A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods
Dominic R Alfonso, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
May 4, 2010
Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22
Tae Hoon Choi, Kenneth D Jordan
The Journal of Physical Chemistry. A
|
November 5, 2013
Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture
Vamsee K Voora, Kenneth D Jordan
The Journal of Physical Chemistry Letters
|
August 28, 2023
Application of a Fluctuating Charge Polarization Model to Large Polyaromatic Hydrocarbons and Graphene Nanoflakes
Devin M Mulvey, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
September 22, 2006
Theoretical characterization of the (H2O)21 cluster: application of an n-body decomposition procedure
Jun Cui, Hanbin Liu, Kenneth D Jordan
The Journal of Chemical Physics
|
August 24, 2017
H<sub>4</sub>: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function
Kevin Gasperich, Michael Deible, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
December 1, 2015
Theoretical Characterization of the Minimum-Energy Structure of (SF6)2
Tijo Vazhappilly, Aude Marjolin, Kenneth D Jordan
The Journal of Physical Chemistry. A
|
October 31, 2008
Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects
Thomas Sommerfeld, Albert DeFusco, Kenneth D Jordan
Journal of Chemical Theory and Computation
|
September 17, 2024
Capturing Correlation Effects in Positron Binding to Atoms and Molecules
Shiv Upadhyay, Anouar Benali, Kenneth D Jordan
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2010
Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods
Glen R Jenness, Ozan Karalti, Kenneth D Jordan
Page
of 12
Search research articles
Search
Showing results (21-30 of 117) with videos related to
Sort By:
Page
of 12
Journal of Computational Chemistry
|
April 30, 2003
A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods
Dominic R Alfonso, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
May 4, 2010
Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22
Tae Hoon Choi, Kenneth D Jordan
The Journal of Physical Chemistry. A
|
November 5, 2013
Nonvalence correlation-bound anion state of C6F6: doorway to low-energy electron capture
Vamsee K Voora, Kenneth D Jordan
The Journal of Physical Chemistry Letters
|
August 28, 2023
Application of a Fluctuating Charge Polarization Model to Large Polyaromatic Hydrocarbons and Graphene Nanoflakes
Devin M Mulvey, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
September 22, 2006
Theoretical characterization of the (H2O)21 cluster: application of an n-body decomposition procedure
Jun Cui, Hanbin Liu, Kenneth D Jordan
The Journal of Chemical Physics
|
August 24, 2017
H<sub>4</sub>: A model system for assessing the performance of diffusion Monte Carlo calculations using a single Slater determinant trial function
Kevin Gasperich, Michael Deible, Kenneth D Jordan
The Journal of Physical Chemistry. B
|
December 1, 2015
Theoretical Characterization of the Minimum-Energy Structure of (SF6)2
Tijo Vazhappilly, Aude Marjolin, Kenneth D Jordan
The Journal of Physical Chemistry. A
|
October 31, 2008
Model potential approaches for describing the interaction of excess electrons with water clusters: incorporation of long-range correlation effects
Thomas Sommerfeld, Albert DeFusco, Kenneth D Jordan
Journal of Chemical Theory and Computation
|
September 17, 2024
Capturing Correlation Effects in Positron Binding to Atoms and Molecules
Shiv Upadhyay, Anouar Benali, Kenneth D Jordan
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2010
Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods
Glen R Jenness, Ozan Karalti, Kenneth D Jordan
Page
of 12