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Physical Chemistry Chemical Physics : PCCP
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February 23, 2008
A one-electron approximation to domain-averaged Fermi hole analysis
David L Cooper, Robert Ponec
The Journal of Physical Chemistry. A
|
July 20, 2007
Anatomy of bond formation. Domain-averaged fermi holes as a tool for the study of the nature of the chemical bonding in Li(2), Li(4), and F(2)
Robert Ponec, David L Cooper
Journal of Molecular Modeling
|
August 10, 2018
Theoretical investigations of the chemical bonding in MM'O<sub>2</sub> clusters (M, M' = Be, Mg, Ca)
Robert Ponec, David L Cooper
Journal of Computational Chemistry
|
May 27, 2022
Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes
Robert Ponec, Anthony J Duben
The Journal of Physical Chemistry. A
|
April 1, 2011
Theoretical insights into the nature of nickel-carbon dioxide interactions in Ni(PH3)2(η2-CO2)
Tamás Kégl, Robert Ponec, László Kollár
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 5, 2006
Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices
Patrick Bultinck, Stijn Fias, Robert Ponec
Journal of Computational Chemistry
|
January 16, 2008
Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8
Robert Ponec, György Lendvay, Joaquin Chaves
Journal of Chemical Theory and Computation
|
December 1, 2015
Relativistic Effects on Metal-Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2.)
Robert Ponec, Lukáš Bučinský, Carlo Gatti
The Journal of Physical Chemistry. A
|
July 13, 2006
Multicenter bond indices as a new means for the quantitative characterization of homoaromaticity
Robert Ponec, Patrick Bultinck, Ana Gallegos Saliner
The Journal of Chemical Physics
|
December 13, 2012
Domain-averaged Fermi-hole analysis for solids
Alexey I Baranov, Robert Ponec, Miroslav Kohout
Page
of 4
Search research articles
Search
Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2008
A one-electron approximation to domain-averaged Fermi hole analysis
David L Cooper, Robert Ponec
The Journal of Physical Chemistry. A
|
July 20, 2007
Anatomy of bond formation. Domain-averaged fermi holes as a tool for the study of the nature of the chemical bonding in Li(2), Li(4), and F(2)
Robert Ponec, David L Cooper
Journal of Molecular Modeling
|
August 10, 2018
Theoretical investigations of the chemical bonding in MM'O<sub>2</sub> clusters (M, M' = Be, Mg, Ca)
Robert Ponec, David L Cooper
Journal of Computational Chemistry
|
May 27, 2022
Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes
Robert Ponec, Anthony J Duben
The Journal of Physical Chemistry. A
|
April 1, 2011
Theoretical insights into the nature of nickel-carbon dioxide interactions in Ni(PH3)2(η2-CO2)
Tamás Kégl, Robert Ponec, László Kollár
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 5, 2006
Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices
Patrick Bultinck, Stijn Fias, Robert Ponec
Journal of Computational Chemistry
|
January 16, 2008
Structure and bonding in binuclear metal carbonyls from the analysis of domain averaged Fermi holes. I. Fe2(CO)9 and Co2(CO)8
Robert Ponec, György Lendvay, Joaquin Chaves
Journal of Chemical Theory and Computation
|
December 1, 2015
Relativistic Effects on Metal-Metal Bonding: Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2.)
Robert Ponec, Lukáš Bučinský, Carlo Gatti
The Journal of Physical Chemistry. A
|
July 13, 2006
Multicenter bond indices as a new means for the quantitative characterization of homoaromaticity
Robert Ponec, Patrick Bultinck, Ana Gallegos Saliner
The Journal of Chemical Physics
|
December 13, 2012
Domain-averaged Fermi-hole analysis for solids
Alexey I Baranov, Robert Ponec, Miroslav Kohout
Page
of 4