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Frank Neese

Showing results (111-120 of 560) with videos related to

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Inorganic Chemistry|July 24, 2015
Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory StudyBhaskar Mondal, Frank Neese, Shengfa Ye
Physical Chemistry Chemical Physics : PCCP|September 20, 2024
Elucidation of the exchange interaction in photoexcited three-spin systems - a second-order perturbational approachMichael Franz, Frank Neese, Sabine Richert
The Journal of Physical Chemistry. A|September 25, 2008
Ab initio study of intriguing coordination complexes: a metal field theory pictureNathalie Guihéry, Vincent Robert, Frank Neese
Chempluschem|January 29, 2020
Iron Azides with Cyclam-Derived Ligands: Are They Precursors for High-Valent Iron Nitrides in the Gas Phase?Oliver Krahe, Frank Neese, Marianne Engeser
Journal of Chemical Theory and Computation|November 20, 2015
Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation EnergiesIgor Schapiro, Kantharuban Sivalingam, Frank Neese
Journal of Chemical Theory and Computation|December 1, 2015
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin HydrogenationAnakuthil Anoop, Walter Thiel, Frank Neese
Inorganic Chemistry|May 11, 2016
Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining StepsBhaskar Mondal, Frank Neese, Shengfa Ye
Inorganic Chemistry|May 30, 2014
Restricted open-shell configuration interaction cluster calculations of the L-edge X-ray absorption study of TiO(2) and CaF(2) solidsDimitrios Maganas, Serena DeBeer, Frank Neese
Journal of the American Chemical Society|March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalystsVera Krewald, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation|February 4, 2016
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the LanthanidesDaniel Aravena, Frank Neese, Dimitrios A Pantazis
Pageof 56

Showing results (111-120 of 560) with videos related to

Sort By:
Pageof 56
Inorganic Chemistry|July 24, 2015
Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory StudyBhaskar Mondal, Frank Neese, Shengfa Ye
Physical Chemistry Chemical Physics : PCCP|September 20, 2024
Elucidation of the exchange interaction in photoexcited three-spin systems - a second-order perturbational approachMichael Franz, Frank Neese, Sabine Richert
The Journal of Physical Chemistry. A|September 25, 2008
Ab initio study of intriguing coordination complexes: a metal field theory pictureNathalie Guihéry, Vincent Robert, Frank Neese
Chempluschem|January 29, 2020
Iron Azides with Cyclam-Derived Ligands: Are They Precursors for High-Valent Iron Nitrides in the Gas Phase?Oliver Krahe, Frank Neese, Marianne Engeser
Journal of Chemical Theory and Computation|November 20, 2015
Assessment of n-Electron Valence State Perturbation Theory for Vertical Excitation EnergiesIgor Schapiro, Kantharuban Sivalingam, Frank Neese
Journal of Chemical Theory and Computation|December 1, 2015
A Local Pair Natural Orbital Coupled Cluster Study of Rh Catalyzed Asymmetric Olefin HydrogenationAnakuthil Anoop, Walter Thiel, Frank Neese
Inorganic Chemistry|May 11, 2016
Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining StepsBhaskar Mondal, Frank Neese, Shengfa Ye
Inorganic Chemistry|May 30, 2014
Restricted open-shell configuration interaction cluster calculations of the L-edge X-ray absorption study of TiO(2) and CaF(2) solidsDimitrios Maganas, Serena DeBeer, Frank Neese
Journal of the American Chemical Society|March 27, 2013
On the magnetic and spectroscopic properties of high-valent Mn3CaO4 cubanes as structural units of natural and artificial water-oxidizing catalystsVera Krewald, Frank Neese, Dimitrios A Pantazis
Journal of Chemical Theory and Computation|February 4, 2016
Improved Segmented All-Electron Relativistically Contracted Basis Sets for the LanthanidesDaniel Aravena, Frank Neese, Dimitrios A Pantazis
Pageof 56