WJPR Citation New

  All Since 2011
 Citation  2903  2393
 h-index  27  24
 i10-index  68  60

Login

Best Paper Awards

World Journal of Pharmaceutical Research (WJPR) will give best paper award in every issue in the form of money along with certificate to promote research activity of scholar.
            Best Paper Award :
Dr. Muhammad Baqir MR Fakhrildin
Download Article: Click Here

Search

Track Your Article

Abstract

AM1 STUDY ON ELECTRONIC STRUCTURE AND CONFORMATIONS OF LACTIM-ENOL FORM OF METHICILLIN

Shabana Sultana, Bojja Rajeshwar Rao and Cherkupally Sanjeeva Reddy*

ABSTRACT

The geometry, conformation and electronic structure of methicillin lactim-enol form have been optimized and calculated in the gas phase usually considering an isolated molecule surrounded by vacuum by semi-empirical molecular orbital AM1 method. In this connection, the protonation at nitrogen atoms of methicillin lactim-enol form has been studied. Further, the heats of formation (ΔHf o), dipole moment (μ), ionization potential (IP), full atomic charges, electronic excitation energies and energies of frontier molecular orbitals (EHOMO and ELUMO) have been performed and discussed. The conformational analyses of mono- and di-protonated methicillin lactim-enol form and their stable conformations have also been performed.

Keywords: AM1, lactim-enol form, methicillin, induction effect, frontier molecular orbital.


[Full Text Article]

Call for Paper

World Journal of Pharmaceutical Research (WJPR)
Read More

Email & SMS Alert

World Journal of Pharmaceutical Research (WJPR)
Read More

Article Statistics

World Journal of Pharmaceutical Research (WJPR)
Read More

Online Submission

World Journal of Pharmaceutical Research (WJPR)
Read More