World Journal of Pharmaceutical Research (WJPR) has indexed with various reputed international bodies like :

WJPR

World Journal of Pharmaceutical Research

( An ISO 9001:2015 Certified International Journal )

An International Peer Reviewed Journal for Pharmaceutical and Medical Research and Technology

Impact Factor : 8.453

ICV : 90.8

WJPR Citation

	All	Since 2020
Citation	8502	4519
h-index	30	23
i10-index	227	96

User Name :

Password :

Forgot Your Password? | Register

Best Article Awards

World Journal of Pharmaceutical Research (WJPR) is giving Best Article Award in every Issue for Best Article and Issue Certificate of Appreciation to the Authors to promote research activity of scholar.

Best Paper Award :
Dr. Dhrubo Jyoti Sen
Download Article: Click Here

Search

Track Your Article

Track Your Article

Abstract

A REVIEW ON COMPUTATIONAL STUDY IN THE PROTONATION OF BENZYLPENICILLIN TAUTOMERS BY AUSTIN MODEL-1(AM1) METHOD

Dr. Bojja Rajeshwar Rao*

Abstract

The optimized electronic structure of benzylpenicillin tautomers and its mono-protonated, di-protonated and anion in the gas phase by semi-empirical molecular orbital AM1 method have been reported. In this review, the protonation of benzylpenicillin tautomers in terms of geometry, conformation, the heats of formation (ΔHfo), dipole moment (μ), ionization potential (IP), full atomic charges and energies of frontier molecular orbitals (EHOMO and ELUMO) have been discussed.

Keywords: AM1, tautomerism, protonation, benzylpenicillin, induction effect, frontier molecular orbital.

[Full Text Article] [Download Certificate]