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Inorganic Chemistry
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July 7, 2005
The stability and eventual lone pair distortion of the hexahalide complexes and molecules of the fifth to eighth main-group elements with one lone pair, as isolated entities or in oligomeric clusters: a vibronic coupling and DFT study
Mihail Atanasov, Dirk Reinen
The Journal of Physical Chemistry. A
|
January 25, 2020
Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory
Lucas Lang, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
August 22, 2012
Cyanide-bridged Fe(III)-Cu(II) complexes: Jahn-Teller isomerism and its influence on the magnetic properties
Mihail Atanasov, Peter Comba, Stefan Helmle
Inorganic Chemistry
|
April 8, 2016
Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory
Daniel Aravena, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
July 15, 2017
Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes
Julie Jung, Mihail Atanasov, Frank Neese
Journal of Chemical Theory and Computation
|
August 2, 2018
Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes
Saurabh Kumar Singh, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
February 28, 2008
Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe(III)-CN-M(II) exchange-coupled pairs
Mihail Atanasov, Peter Comba, Claude A Daul
Chemical Science
|
October 13, 2025
A reflection on modelling and examination of paramagnetic molecules for magnetic storage and molecular spintronics
Mihail Atanasov, Shashank Vittal Rao, Frank Neese
The Journal of Physical Chemistry. A
|
December 8, 2006
DFT studies on the magnetic exchange across the cyanide bridge
Mihail Atanasov, Peter Comba, Claude A Daul
Inorganic Chemistry
|
October 9, 2023
Theoretical Magnetic Relaxation and Spin-Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues
Kamil Kotrle, Mihail Atanasov, Frank Neese, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 55) with videos related to
Sort By:
Page
of 6
Inorganic Chemistry
|
July 7, 2005
The stability and eventual lone pair distortion of the hexahalide complexes and molecules of the fifth to eighth main-group elements with one lone pair, as isolated entities or in oligomeric clusters: a vibronic coupling and DFT study
Mihail Atanasov, Dirk Reinen
The Journal of Physical Chemistry. A
|
January 25, 2020
Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory
Lucas Lang, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
August 22, 2012
Cyanide-bridged Fe(III)-Cu(II) complexes: Jahn-Teller isomerism and its influence on the magnetic properties
Mihail Atanasov, Peter Comba, Stefan Helmle
Inorganic Chemistry
|
April 8, 2016
Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory
Daniel Aravena, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
July 15, 2017
Ab Initio Ligand-Field Theory Analysis and Covalency Trends in Actinide and Lanthanide Free Ions and Octahedral Complexes
Julie Jung, Mihail Atanasov, Frank Neese
Journal of Chemical Theory and Computation
|
August 2, 2018
Challenges in Multireference Perturbation Theory for the Calculations of the g-Tensor of First-Row Transition-Metal Complexes
Saurabh Kumar Singh, Mihail Atanasov, Frank Neese
Inorganic Chemistry
|
February 28, 2008
Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe(III)-CN-M(II) exchange-coupled pairs
Mihail Atanasov, Peter Comba, Claude A Daul
Chemical Science
|
October 13, 2025
A reflection on modelling and examination of paramagnetic molecules for magnetic storage and molecular spintronics
Mihail Atanasov, Shashank Vittal Rao, Frank Neese
The Journal of Physical Chemistry. A
|
December 8, 2006
DFT studies on the magnetic exchange across the cyanide bridge
Mihail Atanasov, Peter Comba, Claude A Daul
Inorganic Chemistry
|
October 9, 2023
Theoretical Magnetic Relaxation and Spin-Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues
Kamil Kotrle, Mihail Atanasov, Frank Neese, et al.
Page
of 6