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A quantum Monte Carlo study of zinc-porphyrin: Vertical excitation between the singlet ground state and the lowest-lying singlet excited state

โœ Scribed by Kulahlioglu, A.H.; Mitas, L.


Book ID
125831696
Publisher
Elsevier
Year
2014
Tongue
English
Weight
329 KB
Volume
1046
Category
Article
ISSN
2210-271X

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## Abstract VEโ€PPP, CNDO/2, and CNDO/sโ€CI methods have been used to investigate the electronic spectrum and structure of benzaldehyde. Electronic charge distributions and bond orders in the ground and lowest excited singlet ฯ€\* โ† ฯ€ and ฯ€\* โ† __n__ states of the molecule have been studied. The molec