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Frank Neese

Showing results (331-340 of 560) with videos related to

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Journal of the American Chemical Society|February 14, 2013
A metal-metal bond in the light-induced state of [NiFe] hydrogenases with relevance to hydrogen evolutionMario Kampa, Maria-Eirini Pandelia, Wolfgang Lubitz, et al.
The Journal of Chemical Physics|November 17, 2017
Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction methodSebastian Mai, Felix Plasser, Mathias Pabst, et al.
The Journal of Physical Chemistry. B|September 15, 2020
Accurate Computation of the Absorption Spectrum of Chlorophyll <i>a</i> with Pair Natural Orbital Coupled Cluster MethodsAbhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, et al.
Journal of the American Chemical Society|August 22, 2017
Time-Resolved Electron Paramagnetic Resonance and Theoretical Investigations of Metal-Free Room-Temperature Triplet EmittersHideto Matsuoka, Marius Retegan, Lisa Schmitt, et al.
Inorganic Chemistry|December 5, 2015
Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational StudyJason England, Eckhard Bill, Thomas Weyhermüller, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Understanding the Nature of the CH···HC Interactions in AlkanesDavid Danovich, Sason Shaik, Frank Neese, et al.
The Journal of Physical Chemistry. A|February 3, 2026
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster TheoryKalman Szenes, Riya Kayal, Kantharuban Sivalingam, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 3, 2014
On the reaction mechanism of the complete intermolecular O2 transfer between mononuclear nickel and manganese complexes with macrocyclic ligandsJhon Zapata-Rivera, Rosa Caballol, Carmen J Calzado, et al.
The Journal of Chemical Physics|January 17, 2020
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T<sub>0</sub>/T)]Yang Guo, Christoph Riplinger, Dimitrios G Liakos, et al.
Journal of the American Chemical Society|December 18, 2014
Hydrogen bond network between amino acid radical intermediates on the proton-coupled electron transfer pathway of E. coli α2 ribonucleotide reductaseThomas U Nick, Wankyu Lee, Simone Kossmann, et al.
Pageof 56

Showing results (331-340 of 560) with videos related to

Sort By:
Pageof 56
Journal of the American Chemical Society|February 14, 2013
A metal-metal bond in the light-induced state of [NiFe] hydrogenases with relevance to hydrogen evolutionMario Kampa, Maria-Eirini Pandelia, Wolfgang Lubitz, et al.
The Journal of Chemical Physics|November 17, 2017
Surface hopping dynamics including intersystem crossing using the algebraic diagrammatic construction methodSebastian Mai, Felix Plasser, Mathias Pabst, et al.
The Journal of Physical Chemistry. B|September 15, 2020
Accurate Computation of the Absorption Spectrum of Chlorophyll <i>a</i> with Pair Natural Orbital Coupled Cluster MethodsAbhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, et al.
Journal of the American Chemical Society|August 22, 2017
Time-Resolved Electron Paramagnetic Resonance and Theoretical Investigations of Metal-Free Room-Temperature Triplet EmittersHideto Matsuoka, Marius Retegan, Lisa Schmitt, et al.
Inorganic Chemistry|December 5, 2015
Molecular and Electronic Structures of Homoleptic Six-Coordinate Cobalt(I) Complexes of 2,2':6',2″-Terpyridine, 2,2'-Bipyridine, and 1,10-Phenanthroline. An Experimental and Computational StudyJason England, Eckhard Bill, Thomas Weyhermüller, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Understanding the Nature of the CH···HC Interactions in AlkanesDavid Danovich, Sason Shaik, Frank Neese, et al.
The Journal of Physical Chemistry. A|February 3, 2026
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster TheoryKalman Szenes, Riya Kayal, Kantharuban Sivalingam, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 3, 2014
On the reaction mechanism of the complete intermolecular O2 transfer between mononuclear nickel and manganese complexes with macrocyclic ligandsJhon Zapata-Rivera, Rosa Caballol, Carmen J Calzado, et al.
The Journal of Chemical Physics|January 17, 2020
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T<sub>0</sub>/T)]Yang Guo, Christoph Riplinger, Dimitrios G Liakos, et al.
Journal of the American Chemical Society|December 18, 2014
Hydrogen bond network between amino acid radical intermediates on the proton-coupled electron transfer pathway of E. coli α2 ribonucleotide reductaseThomas U Nick, Wankyu Lee, Simone Kossmann, et al.
Pageof 56