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. Charanya; S. Sampathkrishnan; N. Balamurugan

doi:10.3964/j.issn.1000-0593(2017)09-2984-05

Spectroscopy and Spectral Analysis, Volume. 37, Issue 9, 2984(2017)

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, and N. Balamurugan^3、*

Author Affiliations

¹Research Scholar, Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur 602105, Tamil Nadu, India

²Department of Physics, Sri Venkateswara College of Engineering, Sriperumbudur 602105, Tamil Nadu, India

³Department of Physics, Dhanalakshmi College of Engineering, Tambaram, Chennai, Tamil Nadu, India

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C. Charanya, S. Sampathkrishnan, N. Balamurugan. 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[J]. Spectroscopy and Spectral Analysis, 2017, 37(9): 2984

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Paper Information

Received: May. 29, 2016

Accepted: --

Published Online: Oct. 16, 2017

The Author Email: Balamurugan N. (n_rishibalaa@yahoo.co.in)

DOI:10.3964/j.issn.1000-0593(2017)09-2984-05

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