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Frank Neese

Showing results (241-250 of 560) with videos related to

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Inorganic Chemistry|August 2, 2006
Molecular and electronic structures of tetrahedral complexes of nickel and cobalt containing N,N'-disubstituted, bulky o-diiminobenzosemiquinonate(1-) pi-radical ligandsKrzysztof Chłopek, Eberhard Bothe, Frank Neese, et al.
The Journal of Chemical Physics|September 16, 2021
An improved chain of spheres for exchange algorithmBenjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
The Journal of Physical Chemistry. A|November 3, 2021
Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster CalculationsAhmet Altun, Soumen Ghosh, Christoph Riplinger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 17, 2010
3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradicalDirk Grote, Christopher Finke, Simone Kossmann, et al.
Inorganic Chemistry|October 24, 2001
Relationship between the Dipole Strength of Ligand Pre-Edge Transitions and Metal-Ligand CovalencyFrank Neese, Britt Hedman, Keith O. Hodgson, et al.
Nature Chemistry|September 23, 2014
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanicsSandeep Sharma, Kantharuban Sivalingam, Frank Neese, et al.
The Journal of Chemical Physics|November 10, 2017
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systemsLee M J Huntington, Martin Krupička, Frank Neese, et al.
Journal of Chemical Theory and Computation|January 5, 2018
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron IntegralsGeorgi L Stoychev, Alexander A Auer, Róbert Izsák, et al.
Journal of Chemical Theory and Computation|January 7, 2021
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large SystemsZhigang Ni, Yang Guo, Frank Neese, et al.
The Journal of Physical Chemistry. A|April 3, 2019
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster StudyReza Ghafarian Shirazi, Frank Neese, Dimitrios A Pantazis, et al.
Pageof 56

Showing results (241-250 of 560) with videos related to

Sort By:
Pageof 56
Inorganic Chemistry|August 2, 2006
Molecular and electronic structures of tetrahedral complexes of nickel and cobalt containing N,N'-disubstituted, bulky o-diiminobenzosemiquinonate(1-) pi-radical ligandsKrzysztof Chłopek, Eberhard Bothe, Frank Neese, et al.
The Journal of Chemical Physics|September 16, 2021
An improved chain of spheres for exchange algorithmBenjamin Helmich-Paris, Bernardo de Souza, Frank Neese, et al.
The Journal of Physical Chemistry. A|November 3, 2021
Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster CalculationsAhmet Altun, Soumen Ghosh, Christoph Riplinger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|March 17, 2010
3,4,5,6-Tetrafluorophenylnitren-2-yl: a ground-state quartet triradicalDirk Grote, Christopher Finke, Simone Kossmann, et al.
Inorganic Chemistry|October 24, 2001
Relationship between the Dipole Strength of Ligand Pre-Edge Transitions and Metal-Ligand CovalencyFrank Neese, Britt Hedman, Keith O. Hodgson, et al.
Nature Chemistry|September 23, 2014
Low-energy spectrum of iron-sulfur clusters directly from many-particle quantum mechanicsSandeep Sharma, Kantharuban Sivalingam, Frank Neese, et al.
The Journal of Chemical Physics|November 10, 2017
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systemsLee M J Huntington, Martin Krupička, Frank Neese, et al.
Journal of Chemical Theory and Computation|January 5, 2018
Self-Consistent Field Calculation of Nuclear Magnetic Resonance Chemical Shielding Constants Using Gauge-Including Atomic Orbitals and Approximate Two-Electron IntegralsGeorgi L Stoychev, Alexander A Auer, Róbert Izsák, et al.
Journal of Chemical Theory and Computation|January 7, 2021
Cluster-in-Molecule Local Correlation Method with an Accurate Distant Pair Correction for Large SystemsZhigang Ni, Yang Guo, Frank Neese, et al.
The Journal of Physical Chemistry. A|April 3, 2019
Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster StudyReza Ghafarian Shirazi, Frank Neese, Dimitrios A Pantazis, et al.
Pageof 56