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Physical Review Letters
|
August 23, 2002
Exchangelike effects for closed-shell adsorbates: interface dipole and work function
Paul S Bagus, Volker Staemmler, Christof Wöll
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2011
A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface
You Kun Gao, Franziska Traeger, Konstantinos Kotsis, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
Md Ehesan Ali, Volker Staemmler, Francesc Illas, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Magnetostructural Dynamics from Hubbard-U Corrected Spin-Projection: [2Fe-2S] Complex in Ferredoxin
Nisanth N Nair, Jordi Ribas-Arino, Volker Staemmler, et al.
The Journal of Chemical Physics
|
June 21, 2012
Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactor
Md Ehesan Ali, Nisanth N Nair, Volker Staemmler, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic [2Fe-2S] Complexes
Nisanth N Nair, Eduard Schreiner, Rodolphe Pollet, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 21, 2007
Dynamical magnetostructural properties of Anabaena ferredoxin
Eduard Schreiner, Nisanth N Nair, Rodolphe Pollet, et al.
The Journal of Physical Chemistry. A
|
November 15, 2007
Adsorption of benzene on coinage metals: a theoretical analysis using wavefunction-based methods
Riccarda Caputo, Brian P Prascher, Volker Staemmler, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 25, 2014
The iron-sulfur core in Rieske proteins is not symmetric
Md Ehesan Ali, Nisanth N Nair, Marius Retegan, et al.
The Journal of Physical Chemistry. B
|
August 20, 2010
Revealing the magnetostructural dynamics of [2Fe-2S] ferredoxins from reduced-dimensionality analysis of antiferromagnetic exchange coupling fluctuations
S Annamaria Fiethen, Volker Staemmler, Nisanth N Nair, et al.
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Search research articles
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Showing results (11-20 of 22) with videos related to
Sort By:
Page
of 3
Physical Review Letters
|
August 23, 2002
Exchangelike effects for closed-shell adsorbates: interface dipole and work function
Paul S Bagus, Volker Staemmler, Christof Wöll
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2011
A theoretical study of the XP and NEXAFS spectra of alanine: gas phase molecule, crystal, and adsorbate at the ZnO(10 ̅10) surface
You Kun Gao, Franziska Traeger, Konstantinos Kotsis, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Designing the Redox-Driven Switching of Ferro- to Antiferromagnetic Couplings in Organic Diradicals
Md Ehesan Ali, Volker Staemmler, Francesc Illas, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Magnetostructural Dynamics from Hubbard-U Corrected Spin-Projection: [2Fe-2S] Complex in Ferredoxin
Nisanth N Nair, Jordi Ribas-Arino, Volker Staemmler, et al.
The Journal of Chemical Physics
|
June 21, 2012
Constrained spin-density dynamics of an iron-sulfur complex: ferredoxin cofactor
Md Ehesan Ali, Nisanth N Nair, Volker Staemmler, et al.
Journal of Chemical Theory and Computation
|
December 4, 2015
Magnetostructural Dynamics with the Extended Broken Symmetry Formalism: Antiferromagnetic [2Fe-2S] Complexes
Nisanth N Nair, Eduard Schreiner, Rodolphe Pollet, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 21, 2007
Dynamical magnetostructural properties of Anabaena ferredoxin
Eduard Schreiner, Nisanth N Nair, Rodolphe Pollet, et al.
The Journal of Physical Chemistry. A
|
November 15, 2007
Adsorption of benzene on coinage metals: a theoretical analysis using wavefunction-based methods
Riccarda Caputo, Brian P Prascher, Volker Staemmler, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 25, 2014
The iron-sulfur core in Rieske proteins is not symmetric
Md Ehesan Ali, Nisanth N Nair, Marius Retegan, et al.
The Journal of Physical Chemistry. B
|
August 20, 2010
Revealing the magnetostructural dynamics of [2Fe-2S] ferredoxins from reduced-dimensionality analysis of antiferromagnetic exchange coupling fluctuations
S Annamaria Fiethen, Volker Staemmler, Nisanth N Nair, et al.
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