Author: Boris Proppe

0000000000994148

AUTHOR

Boris Proppe

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

2000

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...

ChemistryIntramolecular forceAb initioCharge (physics)Physics::Atomic PhysicsPhysics::Chemical PhysicsPhysical and Theoretical ChemistryAtomic physicsExcitationSpectral lineThe Journal of Physical Chemistry A

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