Spectroscopy and Spectral Analysis, Volume. 36, Issue 8, 2721(2016)

Natural Bond Orbitals (NBO), Natural Population Analysis, Mulliken Analysis of Atomic Charges of L-Alaninium Oxalate

C. Charanya1... S. Sampathkrishnan2 and N. Balamurugan3,* |Show fewer author(s)
Author Affiliations
  • 1Research Scholar, Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur 602105, Tamilnadu, India
  • 2Department of Physics, Sri Venkateswara College of Engineering, Sriperumbudur 602105, Tamilnadu, India
  • 3Department of Physics, Sri Lakshmi Ammaal Engineering College, Chennai, Tamilnadu, India
  • show less
    References(11)

    [1] [1] Nalwa H S, Miyata S. Non Linear Optics of Organic Molecules and Polymers’. CRC Press, Boca Raton, 1997.

    [2] [2] Gunter P. Non Linear Optical Effects And Materials. Springer Verlag, Berlin, 2000.

    [3] [3] Moitra S, Kar T. Crystal Research and Technology, 2009, 45: 70.

    [4] [4] Rameshbabu R, Vijayan N, Gopalakrishnan R, et al. Crystal Research and Technology, 2006, 41: 405.

    [5] [5] Mohankumar R, Rajanbabu D, Jayaraman D, et al. J. Cryst. Growth, 2005, 275: 1935.

    [6] [6] Frisch M J, Trucks G W, Schlegel H B, et al. Gaussian 09, Revision A I, Gaussian, Inc, Pittsburgh, P A, 2009.

    [7] [7] Schlegel H B. J. Comput. Chem., 1982, 3: 14.

    [8] [8] Glendening E D, Reed A E, Carpenter J E, et al. NBO Version 3.1, TCI, University of Wisconsin, Madison, 1998.

    [9] [9] Thomson H W, Torkington P. J. Chem. Soc., 1945, 171: 640.

    [10] [10] Reed A E, Weinstock R B, Weinhold F. J. Chem. Phys., 1985, 83: 735.

    [11] [11] Mulliken R S. J. Chem. Phys., 1995, 23: 1833.

    Tools

    Get Citation

    Copy Citation Text

    C. Charanya, S. Sampathkrishnan, N. Balamurugan. Natural Bond Orbitals (NBO), Natural Population Analysis, Mulliken Analysis of Atomic Charges of L-Alaninium Oxalate[J]. Spectroscopy and Spectral Analysis, 2016, 36(8): 2721

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Received: Aug. 31, 2015

    Accepted: --

    Published Online: Dec. 23, 2016

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

    DOI:10.3964/j.issn.1000-0593(2016)08-2721-04

    Topics