Search research articles
Contact Us
Filters
Showing results (291-300 of 560) with videos related to
Page
of 56
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2014
The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II
Marius Retegan, Nicholas Cox, Wolfgang Lubitz, et al.
Angewandte Chemie (International Ed. in English)
|
August 22, 2012
Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S2 state
Dimitrios A Pantazis, William Ames, Nicholas Cox, et al.
The Journal of Chemical Physics
|
March 17, 2019
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl<sub>4</sub>]<sup>2-/1-</sup> molecules
Dimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, et al.
Inorganic Chemistry
|
July 13, 2011
Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexes
Mihail Atanasov, Dmitry Ganyushin, Dimitrios A Pantazis, et al.
The Journal of Chemical Physics
|
June 11, 2005
Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations
Frank Neese, Alexander Wolf, Timo Fleig, et al.
Inorganic Chemistry
|
December 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions
Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam, et al.
Journal of Chemical Theory and Computation
|
March 21, 2020
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics
Benedikt M Flöser, Yang Guo, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger, Peter Pinski, Ute Becker, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
January 1, 2015
The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry
Ragnar Bjornsson, Frank Neese, Richard R Schrock, et al.
The Journal of Chemical Physics
|
July 2, 2018
A near-linear scaling equation of motion coupled cluster method for ionized states
Achintya Kumar Dutta, Masaaki Saitow, Christoph Riplinger, et al.
Page
of 56
Search research articles
Search
Showing results (291-300 of 560) with videos related to
Sort By:
Page
of 56
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2014
The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II
Marius Retegan, Nicholas Cox, Wolfgang Lubitz, et al.
Angewandte Chemie (International Ed. in English)
|
August 22, 2012
Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S2 state
Dimitrios A Pantazis, William Ames, Nicholas Cox, et al.
The Journal of Chemical Physics
|
March 17, 2019
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl<sub>4</sub>]<sup>2-/1-</sup> molecules
Dimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, et al.
Inorganic Chemistry
|
July 13, 2011
Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexes
Mihail Atanasov, Dmitry Ganyushin, Dimitrios A Pantazis, et al.
The Journal of Chemical Physics
|
June 11, 2005
Calculation of electric-field gradients based on higher-order generalized Douglas-Kroll transformations
Frank Neese, Alexander Wolf, Timo Fleig, et al.
Inorganic Chemistry
|
December 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions
Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam, et al.
Journal of Chemical Theory and Computation
|
March 21, 2020
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics
Benedikt M Flöser, Yang Guo, Christoph Riplinger, et al.
The Journal of Chemical Physics
|
January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger, Peter Pinski, Ute Becker, et al.
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
January 1, 2015
The discovery of Mo(III) in FeMoco: reuniting enzyme and model chemistry
Ragnar Bjornsson, Frank Neese, Richard R Schrock, et al.
The Journal of Chemical Physics
|
July 2, 2018
A near-linear scaling equation of motion coupled cluster method for ionized states
Achintya Kumar Dutta, Masaaki Saitow, Christoph Riplinger, et al.
Page
of 56