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Christoph Riplinger

Showing results (1-10 of 44) with videos related to

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The Journal of Chemical Physics|January 25, 2013
An efficient and near linear scaling pair natural orbital based local coupled cluster methodChristoph Riplinger, Frank Neese
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 19, 2011
The reaction mechanism of Cytochrome P450 NO reductase: a detailed quantum mechanics/molecular mechanics studyChristoph Riplinger, Frank Neese
Journal of Chemical Theory and Computation|November 19, 2015
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster StudyManuel Sparta, Christoph Riplinger, Frank Neese
Journal of Computational Chemistry|April 24, 2025
Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static RadiiLukas Wittmann, Miquel Garcia-Ratés, Christoph Riplinger
Physical Chemistry Chemical Physics : PCCP|October 11, 2016
Stability of surface protons in pyridine-catalyzed CO<sub>2</sub> reduction at p-GaP photoelectrodesMartina Lessio, Christoph Riplinger, Emily A Carter
The Journal of Chemical Physics|October 15, 2013
Natural triple excitations in local coupled cluster calculations with pair natural orbitalsChristoph Riplinger, Barbara Sandhoefer, Andreas Hansen, et al.
The Journal of Chemical Physics|June 15, 2020
The ORCA quantum chemistry program packageFrank Neese, Frank Wennmohs, Ute Becker, et al.
Journal of Chemical Theory and Computation|March 14, 2023
Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal ComplexesAhmet Altun, Christoph Riplinger, Frank Neese, et al.
The Journal of Chemical Physics|July 24, 2015
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitalsPeter Pinski, Christoph Riplinger, Edward F Valeev, et al.
Journal of Computational Chemistry|November 24, 2020
Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist bindingMichael Edmund Beck, Christoph Riplinger, Frank Neese, et al.
Pageof 5

Showing results (1-10 of 44) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|January 25, 2013
An efficient and near linear scaling pair natural orbital based local coupled cluster methodChristoph Riplinger, Frank Neese
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 19, 2011
The reaction mechanism of Cytochrome P450 NO reductase: a detailed quantum mechanics/molecular mechanics studyChristoph Riplinger, Frank Neese
Journal of Chemical Theory and Computation|November 19, 2015
Mechanism of Olefin Asymmetric Hydrogenation Catalyzed by Iridium Phosphino-Oxazoline: A Pair Natural Orbital Coupled Cluster StudyManuel Sparta, Christoph Riplinger, Frank Neese
Journal of Computational Chemistry|April 24, 2025
Analytical First Derivatives of the SCF Energy for the Conductor-Like Polarizable Continuum Model With Non-Static RadiiLukas Wittmann, Miquel Garcia-Ratés, Christoph Riplinger
Physical Chemistry Chemical Physics : PCCP|October 11, 2016
Stability of surface protons in pyridine-catalyzed CO<sub>2</sub> reduction at p-GaP photoelectrodesMartina Lessio, Christoph Riplinger, Emily A Carter
The Journal of Chemical Physics|October 15, 2013
Natural triple excitations in local coupled cluster calculations with pair natural orbitalsChristoph Riplinger, Barbara Sandhoefer, Andreas Hansen, et al.
The Journal of Chemical Physics|June 15, 2020
The ORCA quantum chemistry program packageFrank Neese, Frank Wennmohs, Ute Becker, et al.
Journal of Chemical Theory and Computation|March 14, 2023
Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal ComplexesAhmet Altun, Christoph Riplinger, Frank Neese, et al.
The Journal of Chemical Physics|July 24, 2015
Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitalsPeter Pinski, Christoph Riplinger, Edward F Valeev, et al.
Journal of Computational Chemistry|November 24, 2020
Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist bindingMichael Edmund Beck, Christoph Riplinger, Frank Neese, et al.
Pageof 5