Search research articles
Contact Us
Filters
Showing results (141-150 of 560) with videos related to
Page
of 56
Sort By:
Inorganic Chemistry
|
October 23, 2009
A multiconfigurational ab initio study of the zero-field splitting in the di- and trivalent hexaquo-chromium complexes
Dimitrios G Liakos, Dmitry Ganyushin, Frank Neese
The Journal of Physical Chemistry. A
|
December 17, 2019
Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems
Dimitrios G Liakos, Yang Guo, Frank Neese
Journal of Inorganic Biochemistry
|
August 13, 2019
Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem II
Vera Krewald, Frank Neese, Dimitrios A Pantazis
Photosynthesis Research
|
February 25, 2009
Density functional theory
Maylis Orio, Dimitrios A Pantazis, Frank Neese
Journal of Chemical Theory and Computation
|
November 20, 2015
Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II
Marius Retegan, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation
|
November 26, 2015
Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods
Dimitrios G Liakos, Andreas Hansen, Frank Neese
The Journal of Chemical Physics
|
January 24, 2016
Speeding up equation of motion coupled cluster theory with the chain of spheres approximation
Achintya Kumar Dutta, Frank Neese, Róbert Izsák
Inorganic Chemistry
|
August 23, 2017
Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model
Vijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Inorganic Chemistry
|
June 29, 2019
Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron-Sulfur Dimers
Vijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2024
Extensive reference set and refined computational protocol for calculations of <sup>57</sup>Fe Mössbauer parameters
Golokesh Santra, Frank Neese, Dimitrios A Pantazis
Page
of 56
Search research articles
Search
Showing results (141-150 of 560) with videos related to
Sort By:
Page
of 56
Inorganic Chemistry
|
October 23, 2009
A multiconfigurational ab initio study of the zero-field splitting in the di- and trivalent hexaquo-chromium complexes
Dimitrios G Liakos, Dmitry Ganyushin, Frank Neese
The Journal of Physical Chemistry. A
|
December 17, 2019
Comprehensive Benchmark Results for the Domain Based Local Pair Natural Orbital Coupled Cluster Method (DLPNO-CCSD(T)) for Closed- and Open-Shell Systems
Dimitrios G Liakos, Yang Guo, Frank Neese
Journal of Inorganic Biochemistry
|
August 13, 2019
Implications of structural heterogeneity for the electronic structure of the final oxygen-evolving intermediate in photosystem II
Vera Krewald, Frank Neese, Dimitrios A Pantazis
Photosynthesis Research
|
February 25, 2009
Density functional theory
Maylis Orio, Dimitrios A Pantazis, Frank Neese
Journal of Chemical Theory and Computation
|
November 20, 2015
Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II
Marius Retegan, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation
|
November 26, 2015
Weak Molecular Interactions Studied with Parallel Implementations of the Local Pair Natural Orbital Coupled Pair and Coupled Cluster Methods
Dimitrios G Liakos, Andreas Hansen, Frank Neese
The Journal of Chemical Physics
|
January 24, 2016
Speeding up equation of motion coupled cluster theory with the chain of spheres approximation
Achintya Kumar Dutta, Frank Neese, Róbert Izsák
Inorganic Chemistry
|
August 23, 2017
Revisiting the Electronic Structure of FeS Monomers Using ab Initio Ligand Field Theory and the Angular Overlap Model
Vijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Inorganic Chemistry
|
June 29, 2019
Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron-Sulfur Dimers
Vijay Gopal Chilkuri, Serena DeBeer, Frank Neese
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2024
Extensive reference set and refined computational protocol for calculations of <sup>57</sup>Fe Mössbauer parameters
Golokesh Santra, Frank Neese, Dimitrios A Pantazis
Page
of 56