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The Journal of Chemical Physics|July 13, 2005
Importance of vibronic effects on the circular dichroism spectrum of dimethyloxiraneJohannes Neugebauer, Evert Jan Baerends, Marcel Nooijen, et al.The Journal of Chemical Physics|February 25, 2012
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systemsLee M J Huntington, Andreas Hansen, Frank Neese, et al.The Journal of Chemical Physics|May 3, 2018
Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical moleculesJesse J Lutz, Marcel Nooijen, Ajith Perera, et al.The Journal of Chemical Physics|March 17, 2019
Comparison of multireference ab initio wavefunction methodologies for X-ray absorption edges: A case study on [Fe(II/III)Cl4]2-/1- moleculesDimitrios Maganas, Joanna K Kowalska, Marcel Nooijen, et al.The Journal of Chemical Physics|August 11, 2020
Explicitly correlated ab initio potential energy surface and predicted rovibrational spectra for H2O-N2 and D2O-N2 complexesLu Wang, Xiao-Long Zhang, Yu Zhai, et al.The Journal of Chemical Physics|December 21, 2004
Combined coupled-cluster and many-body perturbation theoriesSo Hirata, Peng-Dong Fan, Alexander A Auer, et al.Journal of Chemical Theory and Computation|June 6, 2020
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type MethodsBalázs Kozma, Attila Tajti, Baptiste Demoulin, et al.Physical Chemistry Chemical Physics : PCCP|February 9, 2012
Vibrationally resolved circular dichroism spectra of a molecule with isotopically engendered chiralityNa Lin, Harald Solheim, Kenneth Ruud, et al.The Journal of Physical Chemistry Letters|November 4, 2016
Through-Linker Intramolecular Singlet Fission: General Mechanism and Designing Small ChromophoresTao ZengThe Journal of Chemical Physics|April 17, 2017
A diabatization protocol that includes spin-orbit couplingTao ZengPageof 147