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Christoph Riplinger

Showing results (11-20 of 44) with videos related to

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Journal of Chemical Theory and Computation|March 30, 2022
High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding ConstantsCorentin Poidevin, Georgi L Stoychev, Christoph Riplinger, 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.
ACS Central Science|June 29, 2026
Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular AssembliesMartina Colucci, Christoph Riplinger, Ahmet Altun, et al.
Journal of Chemical Theory and Computation|March 21, 2020
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover EnergeticsBenedikt M Flöser, Yang Guo, Christoph Riplinger, et al.
The Journal of Chemical Physics|January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theoryChristoph Riplinger, Peter Pinski, Ute Becker, et al.
The Journal of Chemical Physics|July 2, 2018
A near-linear scaling equation of motion coupled cluster method for ionized statesAchintya Kumar Dutta, Masaaki Saitow, Christoph Riplinger, et al.
Journal of Computer-Aided Molecular Design|September 8, 2016
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T)Octav Caldararu, Martin A Olsson, Christoph Riplinger, et al.
The Journal of Chemical Physics|May 1, 2017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theoryMasaaki Saitow, Ute Becker, Christoph Riplinger, et al.
The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
Pageof 5

Showing results (11-20 of 44) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|March 30, 2022
High Level Electronic Structure Calculation of Molecular Solid-State NMR Shielding ConstantsCorentin Poidevin, Georgi L Stoychev, Christoph Riplinger, 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.
ACS Central Science|June 29, 2026
Local Energy Decomposition of Intramolecular Interactions: The CovaLED Approach and Its Application to Molecular Recognition in Biomolecular AssembliesMartina Colucci, Christoph Riplinger, Ahmet Altun, et al.
Journal of Chemical Theory and Computation|March 21, 2020
Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover EnergeticsBenedikt M Flöser, Yang Guo, Christoph Riplinger, et al.
The Journal of Chemical Physics|January 17, 2016
Sparse maps--A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theoryChristoph Riplinger, Peter Pinski, Ute Becker, et al.
The Journal of Chemical Physics|July 2, 2018
A near-linear scaling equation of motion coupled cluster method for ionized statesAchintya Kumar Dutta, Masaaki Saitow, Christoph Riplinger, et al.
Journal of Computer-Aided Molecular Design|September 8, 2016
Binding free energies in the SAMPL5 octa-acid host-guest challenge calculated with DFT-D3 and CCSD(T)Octav Caldararu, Martin A Olsson, Christoph Riplinger, et al.
The Journal of Chemical Physics|May 1, 2017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theoryMasaaki Saitow, Ute Becker, Christoph Riplinger, et al.
The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
Pageof 5