Molecular structure and vibrational spectra of [2-Oxo-2-(4-acetyl) phenyl amino] ethylene methacrylate by density functional theory and ab initio Hartree-Fock calculations

Molecular Physics

Volumn 103, Issue 24, 2005, Pages 3309-3314

  Yakuphanoglu, F ^a   Atalay, Y ^b   Erol, I ^c  

^a FIRAT UNIVERSITY   (Turkey)

^b SAKARYA UNIVERSITY   (Turkey)

^c AFYON KOCATEPE UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; VIBRATIONS (MECHANICAL);

MOLECULAR GEOMETRY; STRUCTURAL PARAMETERS; VIBRATIONAL FREQUENCIES;

MOLECULAR DYNAMICS;

EID: 30544448917     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500291795     Document Type: Article

References (22)

1. S. Parker, M. Braden. Biomaterials, 10, 91 (1989).
2. D.F. Williams. Fundamental Aspects of Biocompatibility, CRC Press, Boca Raton, FL (1981).
3. M. Braden, R.L. Clarke. Biomaterials, 5, 369 (1984).
4. M. Braden. Biomaterials, 5, 373 (1984).
5. R.L. Clarke. Biomaterials, 10, 630 (1989).
6. M. Patel, M. Braden. Biomaterials, 12, 645 (1991).
7. M. Fridkin, A. Patchornik, E. Katchalski. J. Am. chem. Soc., 88, 3164 (1966).
8. M.B. Shambu, G.A. Diegnis. Tetrahedron Lett., 12, 1627 (1978).
9. R.C. Schulz, P. Elzer, W. Kern. Macromol. Chem., 42, 189 (1960).
10. N.C. Handy, P.E. Maslen, R.D. Amons, J.S. Audrows, C.W. Murroy, G. Lawing. Chem. Phys. Lett., 197, 506 (1992).
11. S.Y. Lee, B.H. Boo. Bull. Korean Chem. Soc., 17, 760 (1996).
12. G. Rauhut, P. Pulay. J. phys. Chem., 99, 3093 (1995).
13. M. Kurt, Ş. Yurdakul. J. mol. Struct., 654, 1 (2003).
14. I. Erol. J. polym. Sci. Part A-Polym. Chem., 42, 3157 (2004).
15. F. Yakuphanoglu, I. Erol, S. Agan, K.I. Guven, submitted (2005).
16. A. Frisch, A.B. Nielsen, A.J. Holder. Gaussview User Manual, Gaussian Inc., Pittsburg (2001).
17. 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, P. Salvador, J.J. Dannenberg, 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, 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.9, Gaussian, Inc., Pittsburgh PA (2001).
18. S.Y. Lee. Bull. Korean Chem. Soc., 19, 93 (1998).
19. C.J.M. Wheeless, X. Zou, R. Liu. J. phys. Chem., 99, 12488 (1995).
20. S.Y. Lee, B.H. Boo. J. phys. Chem., 100, 15073 (1996);
21. S.Y. Lee, B.H. Boo. J. phys. Chem., 100, 8782 (1996).
22. Y. Atalay, D. Avci, A. Başoǧlu, I.⊙ Okur. J. mol. Struct. THEOCHEM, 713, 21 (2005).