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Hermann Stoll

Showing results (11-20 of 64) with videos related to

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The Journal of Chemical Physics|January 22, 2008
Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applicationsDetlev Figgen, Kirk A Peterson, Hermann Stoll
The Journal of Chemical Physics|October 15, 2013
Comment on "Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)" [J. Chem. Phys. 138, 054110 (2013)]Hermann Stoll, Patricio Fuentealba, László von Szentpály
Physical Chemistry Chemical Physics : PCCP|October 9, 2009
A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimersErich Goll, Hans-Joachim Werner, Hermann Stoll
The Journal of Chemical Physics|January 28, 2006
Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to RaIvan S Lim, Hermann Stoll, Peter Schwerdtfeger
The Journal of Physical Chemistry. A|September 12, 2012
The use of explicitly correlated methods on XeF6 predicts a C3v minimum with a sterically active, free valence electron pair on XeKirk A Peterson, David A Dixon, Hermann Stoll
The Journal of Chemical Physics|July 23, 2004
A systematic ab initio study of the equilibrium geometry and vibrational wave numbers of bismuthineJürgen Breidung, Walter Thiel, Detlev Figgen, et al.
The Journal of Chemical Physics|April 20, 2005
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119Ivan S Lim, Peter Schwerdtfeger, Bernhard Metz, et al.
Inorganic Chemistry|October 24, 2001
The d(0), d(1) and d(2) Configurations in Known and Unknown Tetrathiometal Compounds MS(4)(n)()(-) (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical StudyStanislav Zális, Hermann Stoll, Evert Jan Baerends, et al.
The Journal of Chemical Physics|May 2, 2009
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-PtDetlev Figgen, Kirk A Peterson, Michael Dolg, et al.
The Journal of Chemical Physics|April 26, 2005
Ground-state properties and static dipole polarizabilities of the alkali dimers from K2 n to Fr2 n(n=0,+1) from scalar relativistic pseudopotential coupled cluster and density functional studiesIvan S Lim, Peter Schwerdtfeger, Tilo Söhnel, et al.
Pageof 7

Showing results (11-20 of 64) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|January 22, 2008
Energy-consistent relativistic pseudopotentials for the 4d elements: atomic and molecular applicationsDetlev Figgen, Kirk A Peterson, Hermann Stoll
The Journal of Chemical Physics|October 15, 2013
Comment on "Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)" [J. Chem. Phys. 138, 054110 (2013)]Hermann Stoll, Patricio Fuentealba, László von Szentpály
Physical Chemistry Chemical Physics : PCCP|October 9, 2009
A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimersErich Goll, Hans-Joachim Werner, Hermann Stoll
The Journal of Chemical Physics|January 28, 2006
Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to RaIvan S Lim, Hermann Stoll, Peter Schwerdtfeger
The Journal of Physical Chemistry. A|September 12, 2012
The use of explicitly correlated methods on XeF6 predicts a C3v minimum with a sterically active, free valence electron pair on XeKirk A Peterson, David A Dixon, Hermann Stoll
The Journal of Chemical Physics|July 23, 2004
A systematic ab initio study of the equilibrium geometry and vibrational wave numbers of bismuthineJürgen Breidung, Walter Thiel, Detlev Figgen, et al.
The Journal of Chemical Physics|April 20, 2005
All-electron and relativistic pseudopotential studies for the group 1 element polarizabilities from K to element 119Ivan S Lim, Peter Schwerdtfeger, Bernhard Metz, et al.
Inorganic Chemistry|October 24, 2001
The d(0), d(1) and d(2) Configurations in Known and Unknown Tetrathiometal Compounds MS(4)(n)()(-) (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical StudyStanislav Zális, Hermann Stoll, Evert Jan Baerends, et al.
The Journal of Chemical Physics|May 2, 2009
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-PtDetlev Figgen, Kirk A Peterson, Michael Dolg, et al.
The Journal of Chemical Physics|April 26, 2005
Ground-state properties and static dipole polarizabilities of the alkali dimers from K2 n to Fr2 n(n=0,+1) from scalar relativistic pseudopotential coupled cluster and density functional studiesIvan S Lim, Peter Schwerdtfeger, Tilo Söhnel, et al.
Pageof 7