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Faraday Discussions
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March 3, 2007
Bonding indicators from electron pair density functionals
Miroslav Kohout
Journal of Computational Chemistry
|
May 4, 2011
Electron localization and delocalization indices for solids
Alexey I Baranov, Miroslav Kohout
The Journal of Physical Chemistry. A
|
September 18, 2008
Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations
Frank R Wagner, Miroslav Kohout, Yuri Grin
The Journal of Chemical Physics
|
December 13, 2012
Domain-averaged Fermi-hole analysis for solids
Alexey I Baranov, Robert Ponec, Miroslav Kohout
Journal of Computational Chemistry
|
March 27, 2010
Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2
Viktor Bezugly, Pawel Wielgus, Miroslav Kohout, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 27, 2007
Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond
Frank R Wagner, Viktor Bezugly, Miroslav Kohout, et al.
Journal of Computational Chemistry
|
December 19, 2009
Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2
Viktor Bezugly, Pawel Wielgus, Miroslav Kohout, et al.
Journal of Computational Chemistry
|
December 12, 2007
Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom
Viktor Bezugly, Pawel Wielgus, Frank R Wagner, et al.
The Journal of Physical Chemistry. A
|
October 1, 2021
Interacting Quantum Atoms Method for Crystalline Solids
Daniel Menéndez Crespo, Frank Richard Wagner, Evelio Francisco, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 18, 2011
Sr(2)Ni(3)--a strontium subnickelide?
Peter Höhn, Stefano Agrestini, Alexey Baranov, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Faraday Discussions
|
March 3, 2007
Bonding indicators from electron pair density functionals
Miroslav Kohout
Journal of Computational Chemistry
|
May 4, 2011
Electron localization and delocalization indices for solids
Alexey I Baranov, Miroslav Kohout
The Journal of Physical Chemistry. A
|
September 18, 2008
Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations
Frank R Wagner, Miroslav Kohout, Yuri Grin
The Journal of Chemical Physics
|
December 13, 2012
Domain-averaged Fermi-hole analysis for solids
Alexey I Baranov, Robert Ponec, Miroslav Kohout
Journal of Computational Chemistry
|
March 27, 2010
Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2
Viktor Bezugly, Pawel Wielgus, Miroslav Kohout, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
April 27, 2007
Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond
Frank R Wagner, Viktor Bezugly, Miroslav Kohout, et al.
Journal of Computational Chemistry
|
December 19, 2009
Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2
Viktor Bezugly, Pawel Wielgus, Miroslav Kohout, et al.
Journal of Computational Chemistry
|
December 12, 2007
Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom
Viktor Bezugly, Pawel Wielgus, Frank R Wagner, et al.
The Journal of Physical Chemistry. A
|
October 1, 2021
Interacting Quantum Atoms Method for Crystalline Solids
Daniel Menéndez Crespo, Frank Richard Wagner, Evelio Francisco, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 18, 2011
Sr(2)Ni(3)--a strontium subnickelide?
Peter Höhn, Stefano Agrestini, Alexey Baranov, et al.
Page
of 2