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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 NeeseChemphyschem : 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 NeeseJournal 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 NeeseThe 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.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.Journal of the American Chemical Society|October 18, 2012
ENDOR spectroscopy and DFT calculations: evidence for the hydrogen-bond network within α2 in the PCET of E. coli ribonucleotide reductaseTomislav Argirević, Christoph Riplinger, JoAnne Stubbe, et al.Pageof 55