RAMVIB: A new flexible normal mode analysis software package for biological spectroscopists

Journal of Molecular Structure

Volumn 435, Issue 2, 1997, Pages 109-121

  Fraczkiewicz, Robert ^a   Czernuszewicz, Roman S ^a  

^a University of Houston ^*  (United States)

Author keywords

Normal mode analysis; Vibrational spectroscopy

Indexed keywords

EID: 0031455604     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(97)00107-5     Document Type: Article

References (37)

1. (a) T.G. Spiro (Ed.), Biological Applications of Raman Spectroscopy, Wiley, New York, 1987;
2. (b) R.S. Czernuszewicz, in: C. Jones, B. Mulloy, A.H. Thomas, (Eds.), Methods in Molecular Biology, vol. 17, Humana Press, Totowa. NJ, 1993, pp. 345-374;
3. (c) T.G. Spiro, R.S. Czernuszewicz, Meth. Enzym. 246 (1995) 416-460.
4. E.B. Wilson, J.C. Decius, P.C. Cross, Molecular Vibrations: The Theory of Infrared and Raman Spectra, McGraw-Hill, New York, 1955.
5. (a) J.H. Schachtschneider, Tech. Rep. 231-64, Project No. 31450, Shell Development Co., Emeryville, CA, 1964;
6. (b) W.D. Gwinn, J. Chem. Phys. 55 (1971) 477;
7. (c) H. Fuhrer, V.B. Kartha, K.G. Kidd, P.J. Krueger, H.H. Mantsch, NRCC Bull. 15 (1976) National Research Council of Canada XXXIX-XLI, Ottawa, Canada;
8. (d) F.Y. Hansen, Comput. Phys. Commun. 14 (1978) 193, 219 and 245;
9. (e) I.V. Kochikov, G.M. Kuramshina, Pentin, Yu.A.; V.M. Senyavin, A.C. Yagola, Zh. Fiz. Khim. 64 (1990) 3393;
10. (f) W.F. Murphy, Can. J. Chem. 69 (1991) 1672;
11. (g) P.C. Painter, W. Coleman, K. Koenig, The Theory of Vibrational Spectroscopy and Its Application to Polymeric Materials, Wiley, New York, 1982, chapter 6;
12. (h) L. Hedberg, I.M. Mills, J. Mol. Spectrosc. 160 (1993) 117;
13. (i) T. Sundius, Commentat. Phys.-Math. 47 (1977) 1-66;
14. (j) D.F. McIntosh, K.H. Michaelian, Can. J. Spectrosc. 24 (1979) 1-10, 35-40, 65-74.
15. R. Fraczkiewicz, R.S. Czernuszewicz, J. Phys. Chem., manuscript submitted.
16. M. Gussoni, G. Dellepiane, S. Abbate, J. Mol. Spectrosc. 57 (1975) 323.
17. E. Z. Anderson, C. Bai, J.W. Bischof, J.J. Demmel, J. Dongarra, A.S. Du Croz, Greenbaum, A. Hammarling, McKenney, D. Sorensen, Computer Science Dept. Tech. Rep. CS-90-105, University of Tennessee, Knoxville, TN, 1990.
18. X-Mol, version 1.3.1, Minnesota Supercomputer Center, Minneapolis, MN, 1993.
19. F.A. Cotton, Chemical Applications of Group Theory, Wiley, New York, 1990.
20. (a) D.M. Adams, R.G. Churchill, J. Chem. Soc., Inorg. Phys. Theor. 39A (1970) 296;
21. (b) M. Gussoni, G. Zerbi, J. Mol. Spectrosc. 26 (1968) 485;
22. (c) G. Dellapiane, M. Gussoni, G. Zerbi, J. Chem. Phys. 53 (1970) 3450.
23. T. Miyazawa, J. Chem. Phys. 29 (1958) 246.
24. (a) B.S. Averbukh, L.S. Mayants, G.B. Shaaltuper, J. Mol. Spectrosc. 30 (1969) 310;
25. (b) P. Groner, Hs.H. Guenthard, J. Mol. Spectrosc. 61 (1976) 151;
26. (c) K. Palmo, L.-O. Pietila, S. Krimm, J. Comput. Chem. 13 (1992) 1142.
27. C.E. Sun, R.G. Parr, B.L. Crawford, Jr., J. Chem. Phys. 17 (1949) 840.
28. Z. Fortuna, B. Macukow, J. Wasowski, Numerical Methods, Wydawnictwa Naukowo-Techniczne, Warszawa, 1982 (in Polish).
29. A. Sen, M. Srivastava, Regressions Analysis: Theory, Methods and Applications, Springer, New York, 1990.
30. W.H. Press, S.A. Teukolsky, W.T. Vetterling, B.R. Flannery, Numerical Recipes in FORTRAN, Cambridge University Press, New York, 1992.
31. I.W. Levin, R.A.R. Pearce, Vibr. Spectra Struct. 4 (1975) 102.
32. J.M. Ortega, Matrix Theory, Plenum, New York, 1987.
33. M. Gussoni, G. Dellepiane, S. Abbate, J. Mol. Spectrosc. 57 (1975) 323.
34. (a) J. Ling, L.P. Nestor, R.S. Czernuszewicz, T.G. Spiro, R. Fraczkiewicz, K.D. Sharma, T.M. Loehr, J. Sanders-Loehr, J. Am. Chem. Soc. 116 (1994) 7682;
35. (b) R.S. Czernuszewicz, G. Fraczkiewicz, R. Fraczkiewicz, B.C. Dave, J.P. Germanas, in: J.C. Merlin (Ed.), Spectroscopy of Biological Molecules, Kluwer Dordrecht, 1995, pp. 273-276;
36. (c) C.R. Andrew, R. Fraczkiewicz, R.S. Czernuszewicz, P. Lappalainen, M. Saraste, J. Sanders-Loehr, J. Am. Chem. Soc. 118 (1996) 10436;
37. (d) R. Fraczkiewicz, Ph.D. Thesis, University of Houston, 1996.