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The Journal of Physical Chemistry. A
|
August 7, 2008
Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnII transition metal complexes
Samir Zein, Frank Neese
Journal of the American Chemical Society
|
November 17, 2005
Energetics of binuclear spin transition complexes
Samir Zein, Serguei A Borshch
Inorganic Chemistry
|
December 13, 2007
A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds
Samir Zein, Carole Duboc, Wolfgang Lubitz, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)2]
Samir Zein, Galina S Matouzenko, Serguei A Borshch
The Journal of Chemical Physics
|
December 17, 2009
Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio
Samir Zein, Mahboubeh Poor Kalhor, Liviu F Chibotaru, et al.
The Journal of Physical Chemistry. A
|
June 15, 2007
Investigation of the two-step spin crossover complex Fe[5-NO2-sal-(1,4,7,10)] using density functional theory
Thomas Guillon, Lionel Salmon, Gábor Molnár, et al.
Inorganic Chemistry
|
May 19, 2007
Origin of the zero-field splitting in mononuclear octahedral dihalide MnII complexes: an investigation by multifrequency high-field electron paramagnetic resonance and density functional theory
Carole Duboc, Thida Phoeung, Samir Zein, et al.
The Journal of Chemical Physics
|
January 11, 2007
Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: all the same?
Samir Zein, Serguei A Borshch, Paul Fleurat-Lessard, et al.
Journal of the American Chemical Society
|
March 21, 2007
The catalytic Mn2+ sites in the enolase-inhibitor complex: crystallography, single-crystal EPR, and DFT calculations
Raanan Carmieli, Todd M Larsen, George H Reed, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2009
Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties
Dimitrios A Pantazis, Maylis Orio, Taras Petrenko, et al.
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Search research articles
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Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
August 7, 2008
Ab initio and coupled-perturbed density functional theory estimation of zero-field splittings in MnII transition metal complexes
Samir Zein, Frank Neese
Journal of the American Chemical Society
|
November 17, 2005
Energetics of binuclear spin transition complexes
Samir Zein, Serguei A Borshch
Inorganic Chemistry
|
December 13, 2007
A systematic density functional study of the zero-field splitting in Mn(II) coordination compounds
Samir Zein, Carole Duboc, Wolfgang Lubitz, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Quantum chemical study of three polymorphs of the mononuclear spin-transition complex [Fe(DPPA)(NCS)2]
Samir Zein, Galina S Matouzenko, Serguei A Borshch
The Journal of Chemical Physics
|
December 17, 2009
Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio
Samir Zein, Mahboubeh Poor Kalhor, Liviu F Chibotaru, et al.
The Journal of Physical Chemistry. A
|
June 15, 2007
Investigation of the two-step spin crossover complex Fe[5-NO2-sal-(1,4,7,10)] using density functional theory
Thomas Guillon, Lionel Salmon, Gábor Molnár, et al.
Inorganic Chemistry
|
May 19, 2007
Origin of the zero-field splitting in mononuclear octahedral dihalide MnII complexes: an investigation by multifrequency high-field electron paramagnetic resonance and density functional theory
Carole Duboc, Thida Phoeung, Samir Zein, et al.
The Journal of Chemical Physics
|
January 11, 2007
Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: all the same?
Samir Zein, Serguei A Borshch, Paul Fleurat-Lessard, et al.
Journal of the American Chemical Society
|
March 21, 2007
The catalytic Mn2+ sites in the enolase-inhibitor complex: crystallography, single-crystal EPR, and DFT calculations
Raanan Carmieli, Todd M Larsen, George H Reed, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2009
Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic properties
Dimitrios A Pantazis, Maylis Orio, Taras Petrenko, et al.
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of 2