Search research articles
Contact Us
Filters
Showing results (391-400 of 560) with videos related to
Page
of 56
Sort By:
Inorganic Chemistry
|
September 22, 2011
Experimental and computational investigation of thiolate alkylation in Ni(II) and Zn(II) complexes: role of the metal on the sulfur nucleophilicity
Marcello Gennari, Marius Retegan, Serena DeBeer, et al.
Inorganic Chemistry
|
April 26, 2006
Molecular and electronic structures of oxo-bis(benzene-1,2-dithiolato)chromate(V) monoanions. A combined experimental and density functional study
Ruta Kapre, Kallol Ray, Isabelle Sylvestre, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2013
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory
Frederico A Lima, Ragnar Bjornsson, Thomas Weyhermüller, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2013
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches
Dimitrios Maganas, Michael Roemelt, Michael Hävecker, et al.
Inorganic Chemistry
|
March 15, 2005
Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase
Pierre Kennepohl, Frank Neese, Dirk Schweitzer, et al.
The Journal of Physical Chemistry. B
|
May 18, 2010
Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases
Steven Vancoillie, Jakub Chalupský, Ulf Ryde, et al.
Journal of the American Chemical Society
|
November 19, 2011
Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions
William Ames, Dimitrios A Pantazis, Vera Krewald, et al.
The Journal of Chemical Physics
|
January 8, 2018
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Yang Guo, Christoph Riplinger, Ute Becker, et al.
Inorganic Chemistry
|
March 25, 2011
Influence of mixed thiolate/thioether versus dithiolate coordination on the accessibility of the uncommon +I and +III oxidation states for the nickel ion: an experimental and computational study
Marcello Gennari, Maylis Orio, Jacques Pécaut, 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.
Page
of 56
Search research articles
Search
Showing results (391-400 of 560) with videos related to
Sort By:
Page
of 56
Inorganic Chemistry
|
September 22, 2011
Experimental and computational investigation of thiolate alkylation in Ni(II) and Zn(II) complexes: role of the metal on the sulfur nucleophilicity
Marcello Gennari, Marius Retegan, Serena DeBeer, et al.
Inorganic Chemistry
|
April 26, 2006
Molecular and electronic structures of oxo-bis(benzene-1,2-dithiolato)chromate(V) monoanions. A combined experimental and density functional study
Ruta Kapre, Kallol Ray, Isabelle Sylvestre, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2013
High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory
Frederico A Lima, Ragnar Bjornsson, Thomas Weyhermüller, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 12, 2013
First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin-orbit coupled configuration interaction approaches
Dimitrios Maganas, Michael Roemelt, Michael Hävecker, et al.
Inorganic Chemistry
|
March 15, 2005
Spectroscopy of non-heme iron thiolate complexes: insight into the electronic structure of the low-spin active site of nitrile hydratase
Pierre Kennepohl, Frank Neese, Dirk Schweitzer, et al.
The Journal of Physical Chemistry. B
|
May 18, 2010
Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases
Steven Vancoillie, Jakub Chalupský, Ulf Ryde, et al.
Journal of the American Chemical Society
|
November 19, 2011
Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions
William Ames, Dimitrios A Pantazis, Vera Krewald, et al.
The Journal of Chemical Physics
|
January 8, 2018
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Yang Guo, Christoph Riplinger, Ute Becker, et al.
Inorganic Chemistry
|
March 25, 2011
Influence of mixed thiolate/thioether versus dithiolate coordination on the accessibility of the uncommon +I and +III oxidation states for the nickel ion: an experimental and computational study
Marcello Gennari, Maylis Orio, Jacques Pécaut, 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.
Page
of 56