Theoretical Analysis of the Electronic Spectra of Benzaldehyde

6533b854fe1ef96bd12af207

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Theoretical Analysis of the Electronic Spectra of Benzaldehyde

subject

Benzaldehyde chemistry.chemical_compound Chemistry Spectrum (functional analysis)State (functional analysis)Physical and Theoretical Chemistry Perturbation theory Atomic physics Spectral line

description

The electronic spectrum of benzaldehyde has been studied by using multiconfigurational second-order perturbation theory through the multistate extension (MS-CASPT2). The nπ* 11A‘ ‘ state, placed ve...

year	journal	country	edition	language
2001-03-22	The Journal of Physical Chemistry A

https://doi.org/10.1021/jp004041t

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