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Frank Neese

Showing results (11-20 of 559) with videos related to

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Journal of the American Chemical Society|August 3, 2006
Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case studyFrank Neese
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|July 6, 2006
A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistryFrank Neese
Journal of Computational Chemistry|June 9, 2022
The SHARK integral generation and digestion systemFrank Neese
The Journal of Chemical Physics|July 20, 2006
First-principles calculations of zero-field splitting parametersDmitry Ganyushin, Frank Neese
Proceedings of the National Academy of Sciences of the United States of America|January 12, 2011
Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition stateShengfa Ye, Frank Neese
The Journal of Chemical Physics|September 8, 2011
An orbital-invariant and strictly size extensive post-Hartree-Fock correlation functionalChristian Kollmar, Frank Neese
Inorganic Chemistry|January 7, 2010
Accurate modeling of spin-state energetics in spin-crossover systems with modern density functional theoryShengfa Ye, Frank Neese
Journal of Chemical Theory and Computation|November 22, 2015
How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field AnalysisShengfa Ye, Frank Neese
The Journal of Chemical Physics|January 22, 2018
Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)Peter Pinski, Frank Neese
The Journal of Chemical Physics|March 27, 2026
Efficient implementation of analytical Raman intensitiesPetra Pikulová, Frank Neese
Pageof 56

Showing results (11-20 of 559) with videos related to

Sort By:
Pageof 56
Journal of the American Chemical Society|August 3, 2006
Importance of direct spin-spin coupling and spin-flip excitations for the zero-field splittings of transition metal complexes: a case studyFrank Neese
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|July 6, 2006
A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistryFrank Neese
Journal of Computational Chemistry|June 9, 2022
The SHARK integral generation and digestion systemFrank Neese
The Journal of Chemical Physics|July 20, 2006
First-principles calculations of zero-field splitting parametersDmitry Ganyushin, Frank Neese
Proceedings of the National Academy of Sciences of the United States of America|January 12, 2011
Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition stateShengfa Ye, Frank Neese
The Journal of Chemical Physics|September 8, 2011
An orbital-invariant and strictly size extensive post-Hartree-Fock correlation functionalChristian Kollmar, Frank Neese
Inorganic Chemistry|January 7, 2010
Accurate modeling of spin-state energetics in spin-crossover systems with modern density functional theoryShengfa Ye, Frank Neese
Journal of Chemical Theory and Computation|November 22, 2015
How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field AnalysisShengfa Ye, Frank Neese
The Journal of Chemical Physics|January 22, 2018
Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)Peter Pinski, Frank Neese
The Journal of Chemical Physics|March 27, 2026
Efficient implementation of analytical Raman intensitiesPetra Pikulová, Frank Neese
Pageof 56