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The Journal of Chemical Physics
|
April 3, 2016
Revealing electronic open quantum systems with subsystem TDDFT
Alisa Krishtal, Michele Pavanello
The Journal of Chemical Physics
|
April 24, 2015
Subsystem real-time time dependent density functional theory
Alisa Krishtal, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
October 26, 2010
Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clusters
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
December 2, 2015
Influence of Structure on the Polarizability of Hydrated Methane Sulfonic Acid Clusters
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
December 2, 2015
Effect of Structural Parameters on the Polarizabilities of Methanol Clusters: A Hirshfeld Study
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
The Journal of Chemical Physics
|
August 7, 2009
Local softness, softness dipole, and polarizabilities of functional groups: application to the side chains of the 20 amino acids
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
November 26, 2015
A Hirshfeld Partitioning of the MP2 Correlation Energy: Method and Its Application to the Benzene Dimers
Alisa Krishtal, Sergei F Vyboishchikov, Christian Van Alsenoy
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 17, 2015
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions
Alisa Krishtal, Debalina Sinha, Alessandro Genova, et al.
The Journal of Physical Chemistry. A
|
August 6, 2010
Variation of ion polarizability from vacuum to hydration: insights from Hirshfeld partitioning
Brad A Bauer, Timothy R Lucas, Alisa Krishtal, et al.
The Journal of Chemical Physics
|
December 18, 2007
The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy
András Olasz, Kenno Vanommeslaeghe, Alisa Krishtal, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 3, 2016
Revealing electronic open quantum systems with subsystem TDDFT
Alisa Krishtal, Michele Pavanello
The Journal of Chemical Physics
|
April 24, 2015
Subsystem real-time time dependent density functional theory
Alisa Krishtal, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
October 26, 2010
Origin of the size-dependence of the polarizability per atom in heterogeneous clusters: The case of AlP clusters
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
December 2, 2015
Influence of Structure on the Polarizability of Hydrated Methane Sulfonic Acid Clusters
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
December 2, 2015
Effect of Structural Parameters on the Polarizabilities of Methanol Clusters: A Hirshfeld Study
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
The Journal of Chemical Physics
|
August 7, 2009
Local softness, softness dipole, and polarizabilities of functional groups: application to the side chains of the 20 amino acids
Alisa Krishtal, Patrick Senet, Christian Van Alsenoy
Journal of Chemical Theory and Computation
|
November 26, 2015
A Hirshfeld Partitioning of the MP2 Correlation Energy: Method and Its Application to the Benzene Dimers
Alisa Krishtal, Sergei F Vyboishchikov, Christian Van Alsenoy
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 17, 2015
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions
Alisa Krishtal, Debalina Sinha, Alessandro Genova, et al.
The Journal of Physical Chemistry. A
|
August 6, 2010
Variation of ion polarizability from vacuum to hydration: insights from Hirshfeld partitioning
Brad A Bauer, Timothy R Lucas, Alisa Krishtal, et al.
The Journal of Chemical Physics
|
December 18, 2007
The use of atomic intrinsic polarizabilities in the evaluation of the dispersion energy
András Olasz, Kenno Vanommeslaeghe, Alisa Krishtal, et al.
Page
of 2