World Journal of Pharmaceutical Research (WJPR) has indexed with various reputed international bodies like : Index Copernicus , Google Scholar , EBSCO Publishing Inc (Academic Search Complete), USA , Indian Science Publications , Urlich's Periodicals Directory, Proquest, UK , NewJour-Georgetown University Library, USA , SOCOLAR, China , eGranary Digital Library, USA , CAS (A Division of American Chemical Society) USA , Research Bible, Fuchu, Tokyo. JAPAN , Science Central, USA , Kaohsiung Medical University Library, CHINA , VIKAS PSOAR (Pharmaceutical Sciences Open Access Resources) , Scopus ((Elsevier Products in process) , EMBASE (Elsevier Products, in process) , Directory of Open Access Journal (DOAJ, Sweden, in process) , Thomson Reuters, USA (in process) , Genamics JournalSeek (In Process) , Hinari Research , Geneva Foundation for Medical Education and Research, Switzerland (In Process) , Lupton Library, (In Process) , Polish Scholarly Bibliography , Virtual Library Pharmacy, Medicine and Health, Biosciences , UDLedge Science Citation Index , Global Impact Factor (0.652) , International Impact Factor Services , Directory of Research Journal Indexing (DRJI) , Universal Impact Factor (0.9861) , International Scientific Indexing, UAE , SJIF Impact Factor (5.045) , Scholar Steer, (Under Process) , International Society for Research activity (ISRA) , Scientific Indexing Services (SIS) , InfoBase Index (In Process) , Scholar Article Impact Factor, SAIF , CiteFactor , Journal Index (JI, Under Process) , Indian citation Index (ICI) , Indian Citation Index (ICI) , Directory of abstract indexing for Journals (DAIJ) , Open Access Journals (Under Process) , Eurasian Scientific Journals Index (ESJI) , Impact Factor Services For International Journals (IFSIJ) , Cosmos Impact Factor , Jour Informatics (Under Process) , International Innovative Journal Impact Factor (IIJIF) , Science Library Index, Dubai, United Arab Emirates , Journalseek Database , Pubmed Database [NLM ID:101644668] (Under Process) , IP Indexing (Under Process) , EBSCO, USA , Web of Science Group (Under Process) , Directory of Research Journals Indexing , Scholar Article Journal Index (SAJI) , International Scientific Indexing ( ISI ) ,

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 : 8.084

ICV : 90.8

WJPR Citation

	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

Track Your Article

Abstract

COMPUTATIONAL STUDY ON THE ELECTRONIC STRUCTURE OF PHENETHICILLIN-LACTIM ZWITTERIONS BY AUSTIN MODEL-1 (AM1) METHOD

P. Kavitha Reddy, S. Srinivas and B. Rajeshwar Rao*

ABSTRACT

The geometry, conformation and electronic structure of phenethicillinlactim and its zwitterions have been optimized and calculated by semiempirical molecular orbital method (AM1), which includes experimental parameters and extensive simplification of the Schrodinger’s equation (HΨ=EΨ) for calculation of various properties in the gas phase. The mechanism of formation of zwitterions has been studied. At this instant, the heats of formation (ΔHf o), dipole moment (μ), ionization potential (IP), full atomic charges and energies of frontier molecular orbitals (EHOMO and ELUMO) have been performed and discussed. The conformational changes and electronic properties have also been discussed for stable conformations.

Keywords: Phenethicillin-lactim, zwitterions, HOMO, LUMO, frontier molecular orbitals.

[Full Text Article]