Natural Bond Orbital (NBO), Natural Population Analysis and Mulliken Analysis of Atomic Charges of 4-Amino-3-Phenylbutanoic Acid

C. Charanya; S. Sampathkrishnan; N. Balamurugan

doi:10.3964/j.issn.1000-0593(2019)03-0977-05

[1] Mercuri E Bertini, Messina S, Pelliccioni M, et al. J. Neuromuscul. Dis., 2004, 14(2): 130.

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

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

[4] Reed A E, Weinhold F. J. Chem. Phys., 1985, 83: 1736.

[5] Snehalatha M, Ravikumar C, Hubert Joe I, et al. J. Raman Spectrosc., 2009, 40: 1121.

[6] Hubert Joe I, Irena Kostova, Ravikumar C, et al. J. Raman Spectrosc., 2009, 40: 1033.

[7] Ledesma A E, Zinczuk J, Ben Altabef A, et al. J. Raman Spectrosc., 2009, 40: 1004.

[8] Glendening E D, Reed A E, Carpenter J E, et al. NBO 3.0 Program Manual, Theoretical Chemistry Institute, University of Wisconsin, Madison, Wisconsin, 1990.

[9] Snehalatha M, Ravikumar C, Joe I H, et al. Spectrochim. Acta Part A, 2009, 72: 654.

[10] Kaur M, Marv Y S, Varghese H T, et al. Spectrochim. Acta Part A, 2012, 98: 91.

[11] Yazici S, Albayrak C, Gumrukcuoglu I, et al. J. Mol. Struct., 985(11): 292.

[12] Kosar B, Albayrak C. Spectrochim. Acta A, 2011, 78: 160.

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