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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.Journal of Chemical Theory and Computation|August 7, 2025
Broadening the Scope of the ETS-NOCV Scheme: A Versatile Implementation in ORCARonald Cárdenas Sabando, Christoph Riplinger, Frank Wennmohs, et al.Physical Chemistry Chemical Physics : PCCP|May 22, 2010
Revisiting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculationsMarina Radoul, Mahesh Sundararajan, Alexey Potapov, et al.Journal of Chemical Theory and Computation|June 8, 2017
Multilevel Approaches within the Local Pair Natural Orbital FrameworkManuel Sparta, Marius Retegan, Peter Pinski, et al.Pageof 55