Search research articles
Contact Us
Filters
Showing results (21-30 of 47) with videos related to
Page
of 5
Sort By:
Journal of Computational Chemistry
|
December 5, 2006
Maximum probability domains from Quantum Monte Carlo calculations
Anthony Scemama, Michel Caffarel, Andreas Savin
The Journal of Chemical Physics
|
February 17, 2011
Double-hybrid density-functional theory made rigorous
Kamal Sharkas, Julien Toulouse, Andreas Savin
Journal of Chemical Theory and Computation
|
December 2, 2015
Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis
Peter Reinhardt, Jean-Philip Piquemal, Andreas Savin
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Intracule densities in the strong-interaction limit of density functional theory
Paola Gori-Giorgi, Michael Seidl, Andreas Savin
The Journal of Chemical Physics
|
January 26, 2010
Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities
Takashi Tsuchimochi, Gustavo E Scuseria, Andreas Savin
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 21, 2008
Analytic models of domain-averaged Fermi holes: a new tool for the study of the nature of chemical bonds
Robert Ponec, David L Cooper, Andreas Savin
The Journal of Physical Chemistry. A
|
January 29, 2015
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry
Pascal Pernot, Bartolomeo Civalleri, Davide Presti, et al.
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Chemical Physics
|
July 2, 2010
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
Wuming Zhu, Julien Toulouse, Andreas Savin, et al.
Journal of Molecular Modeling
|
February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?
Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 47) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
December 5, 2006
Maximum probability domains from Quantum Monte Carlo calculations
Anthony Scemama, Michel Caffarel, Andreas Savin
The Journal of Chemical Physics
|
February 17, 2011
Double-hybrid density-functional theory made rigorous
Kamal Sharkas, Julien Toulouse, Andreas Savin
Journal of Chemical Theory and Computation
|
December 2, 2015
Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis
Peter Reinhardt, Jean-Philip Piquemal, Andreas Savin
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Intracule densities in the strong-interaction limit of density functional theory
Paola Gori-Giorgi, Michael Seidl, Andreas Savin
The Journal of Chemical Physics
|
January 26, 2010
Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities
Takashi Tsuchimochi, Gustavo E Scuseria, Andreas Savin
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 21, 2008
Analytic models of domain-averaged Fermi holes: a new tool for the study of the nature of chemical bonds
Robert Ponec, David L Cooper, Andreas Savin
The Journal of Physical Chemistry. A
|
January 29, 2015
Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry
Pascal Pernot, Bartolomeo Civalleri, Davide Presti, et al.
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Chemical Physics
|
July 2, 2010
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions
Wuming Zhu, Julien Toulouse, Andreas Savin, et al.
Journal of Molecular Modeling
|
February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?
Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
Page
of 5