DFT investigation of sites of protonation of antitumor of 2-(4-aminophenyl)benzazoles in the gas phase and in solution

Journal article

Peer reviewed

International journal of quantum chemistry, Vol.103(4), pp.449-459

2005

Abstract

antitumor of 2-(4-aminophenyl)benzazoles

DFT/B3LYP/6-311++G

PCM

proton affinity

SCRF

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Title: DFT investigation of sites of protonation of antitumor of 2-(4-aminophenyl)benzazoles in the gas phase and in solution
Creators - without role: Rifaat Hilal - Cairo University
Shabaan A. K. Elroby - Beni-Suef University
Publication Details: International journal of quantum chemistry, Vol.103(4), pp.449-459
Publisher: Wiley Subscription Services, Inc., A Wiley Company
Number of pages: 11
Identifiers: 9935385108331
Academic Unit: King Abdulaziz University
Language: English
Resource Type: Journal article