Theoretical Study of the Twisted Intramolecular Charge Transfer in 1-Phenylpyrrole

6533b856fe1ef96bd12b25eb

RESEARCH PRODUCT

Theoretical Study of the Twisted Intramolecular Charge Transfer in 1-Phenylpyrrole

Boris Proppe Luis Serrano-andrés Manuela Merchán

subject

Chemistry Intramolecular force Ab initio Charge (physics)Physics::Atomic Physics Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics Excitation Spectral line

description

Ab initio results for the electronic spectra of 1-phenylpyrrole are presented. Vertical, emission, and nonvertical excitation energies have been computed using multiconfigurational second-order per...

year	journal	country	edition	language
2000-02-01	The Journal of Physical Chemistry A

https://doi.org/10.1021/jp993627g

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