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The Journal of Physical Chemistry. A
|
April 9, 2011
d-d Spectra of transition-metal carbodiimides and hydrocyanamides as derived from many-particle effective Hamiltonian calculations
Andrei L Tchougréeff, Richard Dronskowski
The Journal of Physical Chemistry. A
|
July 18, 2013
Effective Hamiltonian Crystal Field as applied to magnetic exchange parameters in μ-oxo-bridged Cr(III) dimers
Andrei L Tchougréeff, Richard Dronskowski
The Journal of Physical Chemistry. A
|
May 10, 2011
Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets
Volker L Deringer, Andrei L Tchougréeff, Richard Dronskowski
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 10, 2009
Hydrogen-bond networks in water clusters (H2O)20: an exhaustive quantum-chemical analysis
Andrei M Tokmachev, Andrei L Tchougréeff, Richard Dronskowski
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2011
Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials
Anton V Sinitskiy, Andrei L Tchougréeff, Richard Dronskowski
Journal of Computational Chemistry
|
October 25, 2021
Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo
Ilya V Popov, Timofei S Kushnir, Andrei L Tchougréeff
The Journal of Physical Chemistry. A
|
November 3, 2010
Electronic and magnetic structure of transition-metal carbodiimides by means of GGA+U theory
Hongping Xiang, Richard Dronskowski, Bernhard Eck, et al.
The Journal of Chemical Physics
|
December 17, 2013
High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature
Philipp Jacobs, Andreas Houben, Andrei L Tchougréeff, et al.
Journal of Computational Chemistry
|
February 26, 2016
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT
Stefan Maintz, Volker L Deringer, Andrei L Tchougréeff, et al.
Journal of Computational Chemistry
|
September 12, 2013
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
Stefan Maintz, Volker L Deringer, Andrei L Tchougréeff, et al.
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of 2
Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
April 9, 2011
d-d Spectra of transition-metal carbodiimides and hydrocyanamides as derived from many-particle effective Hamiltonian calculations
Andrei L Tchougréeff, Richard Dronskowski
The Journal of Physical Chemistry. A
|
July 18, 2013
Effective Hamiltonian Crystal Field as applied to magnetic exchange parameters in μ-oxo-bridged Cr(III) dimers
Andrei L Tchougréeff, Richard Dronskowski
The Journal of Physical Chemistry. A
|
May 10, 2011
Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets
Volker L Deringer, Andrei L Tchougréeff, Richard Dronskowski
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 10, 2009
Hydrogen-bond networks in water clusters (H2O)20: an exhaustive quantum-chemical analysis
Andrei M Tokmachev, Andrei L Tchougréeff, Richard Dronskowski
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2011
Phenomenological model of spin crossover in molecular crystals as derived from atom-atom potentials
Anton V Sinitskiy, Andrei L Tchougréeff, Richard Dronskowski
Journal of Computational Chemistry
|
October 25, 2021
Local perturbations of periodic systems. Chemisorption and point defects by GoGreenGo
Ilya V Popov, Timofei S Kushnir, Andrei L Tchougréeff
The Journal of Physical Chemistry. A
|
November 3, 2010
Electronic and magnetic structure of transition-metal carbodiimides by means of GGA+U theory
Hongping Xiang, Richard Dronskowski, Bernhard Eck, et al.
The Journal of Chemical Physics
|
December 17, 2013
High-resolution neutron diffraction study of CuNCN: new evidence of structure anomalies at low temperature
Philipp Jacobs, Andreas Houben, Andrei L Tchougréeff, et al.
Journal of Computational Chemistry
|
February 26, 2016
LOBSTER: A tool to extract chemical bonding from plane-wave based DFT
Stefan Maintz, Volker L Deringer, Andrei L Tchougréeff, et al.
Journal of Computational Chemistry
|
September 12, 2013
Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
Stefan Maintz, Volker L Deringer, Andrei L Tchougréeff, et al.
Page
of 2