A quantum dynamical study of the photoelectron spectra and the Renner-Teller effect in BrCN and ClCN based on four-component potential energy hypersurfaces

Tran, VA; Pernpointner, M

Pernpointner, M (reprint author), Heidelberg Univ, Theoret Chem, Neuenheimer Feld 229, D-69120 Heidelberg, Germany.

CHEMICAL PHYSICS, 2018; 509 (): 151

Abstract

In this work we investigate the Renner-Teller effect (RTE) in the photoelectron spectra of C1CN and BrCN. The spectra were calculated by a nuclear wav......

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