Vibrational spectra of 3-phenylpropionic acid and L-phenylalanine

Journal of Molecular Structure

Volumn 744-747, Issue SPEC. ISS., 2005, Pages 887-891

  Castro, J L ^a   Lopez Ramirez M R ^a   Arenas, J F ^a   Otero, J C ^a  

^a UNIVERSITY OF MÁLAGA   (Spain)

Author keywords

3 phenylpropionate ion; DFT calculations; L phenylalaninate ion; Vibrational force field

Indexed keywords

BENZENE; CARBOXYLIC ACIDS; LARGE SCALE SYSTEMS; NEGATIVE IONS; QUANTUM THEORY;

3-PHENYLPROPIONIC (3PP) ACID; GLYCINE; L-PHENYLALANINE; SCALE QUANTUM MECHANICAL FORCE FIELD (SQMFF) METHODOLOGY; VIBRATION SPECTRA;

AMINO ACIDS;

EID: 19344376969     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.10.098     Document Type: Conference Paper

References (7)

1. P. Pulay, G. Fogarasi, and J.E. Boggs J. Chem. Phys. 74 1981 3999
2. J.L. Castro, M.R. López-Ramírez, I. López- Tocón, and J.C. Otero J. Mol. Struct. 651 2003 601
3. Ch.W. Bock, Ph. George, and M. Trachtman Theor. Chim. Acta 69 1986 235
4. Y. Wang, S. Saebo, and Ch.U. Pittman Jr. J. Mol. Struct. 281 1993 91
5. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
6. P. Pulay, G. Fogarasi, F. Pang, and J.E. Boggs J. Am. Chem. Soc. 101 1979 2550
7. G. Varsányi Vibrational Spectra of Benzene Derivatives 1969 Academic Press New York