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SPECTROSCOPY AND SPECTRAL ANALYSIS  2017, Vol. 37 Issue (09): 2984-2988    DOI: 10.3964/j.issn.1000-0593(2017)09-2984-05
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Natural Bond Orbital (NBO), Natural Population Analysis (NPA) and Non Linear Optical Properties of (1S, 2R)-2-amino-1-phenylpropan-1-ol Using DFT Method
C. Charanya1,S. Sampathkrishnan2, N. Balamurugan3*
1. Research Scholar, Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur 602105, Tamil Nadu, India
2. Department of Physics, Sri Venkateswara College of Engineering, Sriperumbudur 602105, Tamil Nadu, India
3. Department of Physics, Dhanalakshmi College of Engineering, Tambaram, Chennai, Tamil Nadu, India