Molecular structure, vibrational spectra, UV–vis, NBO, and NMR analyses on nevirapine using ab initio DFT methods

Subject Areas : Journal of Theoretical and Applied Physics

Shanmugam Srinivasan ¹ , Julie Charles ² , Jayaprakash Ramesh ³ , Govindaswamy Ranganathan Ramkumaar ⁴ , Thirumazhisai Jambulingam Bhoopathy ⁵ , Sethu Gunasekaran ⁶

1 - PG and Research Department of Physics, Presidency College
2 - Department of Physics, SSN College of Engineering
3 - Department of Pharmaceutical Analysis, JKK Munirajah Medical Research Foundation College of Pharmacy
4 - PG AND Research Department of Physics, Pachaiyappa 's College
5 - PG and Research Department of Physics, Pachaiyappa' s College
6 - PG AND Research Department of Physics, Pachaiyappa 's College

Accepted : 2013-12-01 Published : 2013-12-01

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