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Kamal Sharkas

Showing results (1-10 of 17) with videos related to

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Environmental Science & Technology Letters|February 17, 2025
Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified SurfacesKamal Sharkas, Bryan M Wong
The Journal of Chemical Physics|February 17, 2011
Double-hybrid density-functional theory made rigorousKamal Sharkas, Julien Toulouse, Andreas Savin
The Journal of Physical Chemistry Letters|August 13, 2015
Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-PrinciplesFrédéric Gendron, Kamal Sharkas, Jochen Autschbach
Journal of Chemical Theory and Computation|November 19, 2015
Effects from spin-orbit coupling on electron-nucleus hyperfine coupling calculated at the restricted active space level for Kramers doubletsKamal Sharkas, Ben Pritchard, Jochen Autschbach
The Journal of Chemical Physics|August 3, 2014
Double-hybrid density-functional theory applied to molecular crystalsKamal Sharkas, Julien Toulouse, Lorenzo Maschio, et al.
The Journal of Physical Chemistry. A|November 15, 2017
Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSeKamal Sharkas, Laura Gagliardi, Donald G Truhlar
The Journal of Chemical Physics|September 22, 2011
Communication: rationale for a new class of double-hybrid approximations in density-functional theoryJulien Toulouse, Kamal Sharkas, Eric Brémond, et al.
The Journal of Chemical Physics|March 5, 2014
Double-hybrid density-functional theory with meta-generalized-gradient approximationsSidi M O Souvi, Kamal Sharkas, Julien Toulouse
The Journal of Chemical Physics|August 3, 2012
A multiconfigurational hybrid density-functional theoryKamal Sharkas, Andreas Savin, Hans Jørgen Aa Jensen, et al.
The Journal of Chemical Physics|September 17, 2015
Range-separated double-hybrid density-functional theory applied to periodic systemsGiuseppe Sansone, Bartolomeo Civalleri, Denis Usvyat, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Environmental Science & Technology Letters|February 17, 2025
Defluorination Mechanisms and Real-Time Dynamics of Per- and Polyfluoroalkyl Substances on Electrified SurfacesKamal Sharkas, Bryan M Wong
The Journal of Chemical Physics|February 17, 2011
Double-hybrid density-functional theory made rigorousKamal Sharkas, Julien Toulouse, Andreas Savin
The Journal of Physical Chemistry Letters|August 13, 2015
Calculating NMR Chemical Shifts for Paramagnetic Metal Complexes from First-PrinciplesFrédéric Gendron, Kamal Sharkas, Jochen Autschbach
Journal of Chemical Theory and Computation|November 19, 2015
Effects from spin-orbit coupling on electron-nucleus hyperfine coupling calculated at the restricted active space level for Kramers doubletsKamal Sharkas, Ben Pritchard, Jochen Autschbach
The Journal of Chemical Physics|August 3, 2014
Double-hybrid density-functional theory applied to molecular crystalsKamal Sharkas, Julien Toulouse, Lorenzo Maschio, et al.
The Journal of Physical Chemistry. A|November 15, 2017
Multiconfiguration Pair-Density Functional Theory and Complete Active Space Second Order Perturbation Theory. Bond Dissociation Energies of FeC, NiC, FeS, NiS, FeSe, and NiSeKamal Sharkas, Laura Gagliardi, Donald G Truhlar
The Journal of Chemical Physics|September 22, 2011
Communication: rationale for a new class of double-hybrid approximations in density-functional theoryJulien Toulouse, Kamal Sharkas, Eric Brémond, et al.
The Journal of Chemical Physics|March 5, 2014
Double-hybrid density-functional theory with meta-generalized-gradient approximationsSidi M O Souvi, Kamal Sharkas, Julien Toulouse
The Journal of Chemical Physics|August 3, 2012
A multiconfigurational hybrid density-functional theoryKamal Sharkas, Andreas Savin, Hans Jørgen Aa Jensen, et al.
The Journal of Chemical Physics|September 17, 2015
Range-separated double-hybrid density-functional theory applied to periodic systemsGiuseppe Sansone, Bartolomeo Civalleri, Denis Usvyat, et al.
Pageof 2