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Journal of Chemical Theory and Computation|July 24, 2023
Accurate Calculation of Isomerization and Conformational Energies of Larger Molecules Using Explicitly Correlated Local Coupled Cluster Methods in Molpro and ORCAHans-Joachim Werner, Andreas HansenThe Journal of Physical Chemistry. A|December 5, 2024
Local Wave Function Embedding: Correlation Regions in PNO-LCCSD(T)-F12 CalculationsHans-Joachim Werner, Andreas HansenThe Journal of Physical Chemistry. A|May 19, 2025
Accurate Calculation of Noncovalent Interactions Using PNO-LCCSD(T)-F12 in MolproAndreas Hansen, Peter J Knowles, Hans-Joachim WernerPhysical Chemistry Chemical Physics : PCCP|April 4, 2025
Correction: The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizationsThomas Gasevic, Markus Bursch, Qianli Ma, et al.Physical Chemistry Chemical Physics : PCCP|April 25, 2024
The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizationsThomas Gasevic, Markus Bursch, Qianli Ma, et al.The Journal of Chemical Physics|December 3, 2016
Communication: Multipole approximations of distant pair energies in local correlation methods with pair natural orbitalsHans-Joachim WernerThe Journal of Chemical Physics|December 3, 2008
Eliminating the domain error in local explicitly correlated second-order Møller-Plesset perturbation theoryHans-Joachim WernerThe Journal of Chemical Physics|October 21, 2011
An efficient local coupled cluster method for accurate thermochemistry of large systemsHans-Joachim Werner, Martin SchützThe Journal of Chemical Physics|April 25, 2008
Explicitly correlated RMP2 for high-spin open-shell reference statesGerald Knizia, Hans-Joachim WernerPhysical Chemistry Chemical Physics : PCCP|June 7, 2008
Accurate calculations of intermolecular interaction energies using explicitly correlated wave functionsOliver Marchetti, Hans-Joachim WernerPageof 19