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The Journal of Chemical Physics|April 17, 2017
An improved spin-orbit coupling model for use within the effective relativistic coupling by asymptotic representation (ERCAR) methodNils Wittenbrink, Wolfgang EisfeldThe Journal of Physical Chemistry. A|April 18, 2013
Toward spin-orbit coupled diabatic potential energy surfaces for methyl iodide using effective relativistic coupling by asymptotic representationNils Wittenbrink, Hameth Ndome, Wolfgang EisfeldThe Journal of Chemical Physics|November 17, 2016
A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatzNils Wittenbrink, Florian Venghaus, David Williams, et al.The Journal of Physical Chemistry. A|March 17, 2006
Calculation of the vibrationally resolved electronic absorption spectrum of the propargyl radical (H2CCCH)Wolfgang EisfeldThe Journal of Chemical Physics|February 10, 2011
Highly accurate determination of the electron affinity of SF6 and analysis of structure and photodetachment spectrum of SF6-Wolfgang EisfeldPhysical Chemistry Chemical Physics : PCCP|October 9, 2009
Ab initio calculation of electronic absorption spectra and ionization potentials of C3H3 radicalsWolfgang EisfeldPhysical Chemistry Chemical Physics : PCCP|October 2, 2009
Theoretical study of the photodetachment spectrum of the methylene amidogene anion (H2CN-)Wolfgang EisfeldThe Journal of Chemical Physics|July 23, 2004
Theoretical investigation of ground and excited states of the methylene amidogene radical (H(2)CN)Wolfgang EisfeldThe Journal of Chemical Physics|January 23, 2017
Vibronic eigenstates and the geometric phase effect in the 2E″ state of NO3Wolfgang Eisfeld, Alexandra VielThe Journal of Chemical Physics|February 11, 2024
The effective relativistic coupling by asymptotic representation approach for molecules with multiple relativistic atomsNicole Weike, Wolfgang EisfeldPageof 5