• Spectroscopy and Spectral Analysis
  • Vol. 35, Issue 6, 1506 (2015)
Rubarani P. Gangadharan1、* and S. Sampath Krishnan2
Author Affiliations
  • 1Department of Physics, Rajalakshmi Engineering College, Thandalam, Chennai602105, Tamil Nadu, India
  • 2Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai602105, Tamil Nadu, India
  • show less
    DOI: 10.3964/j.issn.1000-0593(2015)06-1506-06 Cite this Article
    Rubarani P. Gangadharan, S. Sampath Krishnan. Natural Bond Orbital (NBO) Population Analysis, First Order Hyperpolarizabilities and Thermodynamic Properties of Cyclohexanone[J]. Spectroscopy and Spectral Analysis, 2015, 35(6): 1506 Copy Citation Text show less
    References

    [1] Krasavage W J, O’Donoghue J L, Divincenzo G D. Ketones: Cyclohexanone. In: Clayton, G.D. & Clayton, EE., eds, Patty’s Industri Hygiene and Toxicology 3rd ed., Vol. 2C, New York,John Wiley & Sons, 1982. 4722.

    [2] Windholz M. The Merck Index, 10th Ed. Rahway, N J, Merck & Co., 1983. 391.

    [3] Considine D M. Chemical and Process Technology Encyclopedia. New York: Mc Graw Hill, 1974. 337.

    [4] American Chemical Society. Chemylopedia 87, Washington DC, 1987. 62.

    [5] Hawley G G. The Condensed Chemical Dictionary, 10th ed. New York, Van Nostrand Reinhold, 1981. 297.

    [6] Young D C. Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems (Electronic). John Wiley & Sons Inc, New York, 2001.

    [7] Frish A, Nielsen A B, Holder A J. Gauss View User Manual, Gaussian Inc., Pittsburgh, PA, 2001.

    [8] Frisch M J, Trucks G W, Schlegel H B, et al Gaussian 03, Revision A.I, Gaussian, Inc, Pittsburgh, PA, 2003.

    [9] Hariharan P C, Pople J A. Theo. Chim. Acta, 1973, 28: 213.

    [10] Hariharan P C, Pople J A. Mol. Phys., 1974, 27: 209.

    [11] Becke A D. J. Chem. Phys., 1993, 98: 5648.

    [12] Sidir I, Sidir Y G, Kumalar M, et al. J. Mol. Struct., 2010, 134: 964.

    [13] Jug K, Maksic Z B. Theoretical Model of Chemical Bonding, Part 3. Springer, Berlin, 1991. 233.

    [14] Fliszar S. Charge Distributions and Chemical Effects. Springer, New York, 1983.

    [15] L Xiao-Hong, et al. Comput. Theor. Chem., 2011, 969: 27.

    [16] Snehalatha M, Ravi Kumar C, Hubert Joe I, et al. Spectrochim. Acta, 2009, 72A: 654.

    [17] James C, Amal Raj A, Reghunathan R, et al. J. Raman Spectrosc., 2006, 37: 138.

    [18] Liu J, Chen Z, Yuan S. J. Zhejiang Univ. Sci., B, 2005, 6: 584.

    [19] Roy R K, Hirao K, Krishnamurthy S, et al. J. Chem. Phys., 2011, 115: 2901.

    [20] Kolandaivel P, Praveen G, Selvarengan P. J. Chem. Sci., 2005, 117(5): 591.

    [21] Zhang C R, Chen H S, Wang G H. Chem. Res. Chin., 2004, U20: 640.

    [22] Sun Y, Chen X, Sun L, et al. Chem. Phys. Lett., 2003, 381: 397.

    [23] Christiansen O, Gauss J, Stanton J F. Chem. Phys. Lett., 1999, 305: 147.

    [24] Zhang R, Dub B, Sun G, et al. Spectrochim. Acta A, 2010, 75: 1115.

    Rubarani P. Gangadharan, S. Sampath Krishnan. Natural Bond Orbital (NBO) Population Analysis, First Order Hyperpolarizabilities and Thermodynamic Properties of Cyclohexanone[J]. Spectroscopy and Spectral Analysis, 2015, 35(6): 1506
    Download Citation