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Journal of Chemical Theory and Computation
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November 24, 2015
Charge Transfer from Regularized Symmetry-Adapted Perturbation Theory
Alston J Misquitta
The Journal of Chemical Physics
|
June 25, 2005
Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers
Alston J Misquitta, Krzysztof Szalewicz
The Journal of Chemical Physics
|
January 21, 2006
Distributed polarizabilities obtained using a constrained density-fitting algorithm
Alston J Misquitta, Anthony J Stone
Journal of Chemical Theory and Computation
|
December 2, 2015
Accurate Induction Energies for Small Organic Molecules: 1. Theory
Alston J Misquitta, Anthony J Stone
Journal of Chemical Theory and Computation
|
July 29, 2016
Ab Initio Atom-Atom Potentials Using CamCASP: Theory and Application to Many-Body Models for the Pyridine Dimer
Alston J Misquitta, Anthony J Stone
Physical Review Letters
|
August 9, 2003
Dispersion energy from density-functional theory description of monomers
Alston J Misquitta, Bogumil Jeziorski, Krzysztof Szalewicz
The Journal of Physical Chemistry. A
|
October 5, 2011
Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite
Tim S Totton, Alston J Misquitta, Markus Kraft
Journal of Chemical Theory and Computation
|
November 28, 2015
A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons
Tim S Totton, Alston J Misquitta, Markus Kraft
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2012
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
Tim S Totton, Alston J Misquitta, Markus Kraft
Journal of Chemical Theory and Computation
|
November 20, 2015
Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure
Alston J Misquitta, Anthony J Stone, Farhang Fazeli
Page
of 4
Search research articles
Search
Showing results (1-10 of 34) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
November 24, 2015
Charge Transfer from Regularized Symmetry-Adapted Perturbation Theory
Alston J Misquitta
The Journal of Chemical Physics
|
June 25, 2005
Symmetry-adapted perturbation-theory calculations of intermolecular forces employing density-functional description of monomers
Alston J Misquitta, Krzysztof Szalewicz
The Journal of Chemical Physics
|
January 21, 2006
Distributed polarizabilities obtained using a constrained density-fitting algorithm
Alston J Misquitta, Anthony J Stone
Journal of Chemical Theory and Computation
|
December 2, 2015
Accurate Induction Energies for Small Organic Molecules: 1. Theory
Alston J Misquitta, Anthony J Stone
Journal of Chemical Theory and Computation
|
July 29, 2016
Ab Initio Atom-Atom Potentials Using CamCASP: Theory and Application to Many-Body Models for the Pyridine Dimer
Alston J Misquitta, Anthony J Stone
Physical Review Letters
|
August 9, 2003
Dispersion energy from density-functional theory description of monomers
Alston J Misquitta, Bogumil Jeziorski, Krzysztof Szalewicz
The Journal of Physical Chemistry. A
|
October 5, 2011
Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite
Tim S Totton, Alston J Misquitta, Markus Kraft
Journal of Chemical Theory and Computation
|
November 28, 2015
A First Principles Development of a General Anisotropic Potential for Polycyclic Aromatic Hydrocarbons
Tim S Totton, Alston J Misquitta, Markus Kraft
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2012
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
Tim S Totton, Alston J Misquitta, Markus Kraft
Journal of Chemical Theory and Computation
|
November 20, 2015
Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure
Alston J Misquitta, Anthony J Stone, Farhang Fazeli
Page
of 4