Molecular structures and conformations: Experiment and theory

Journal of Computational Chemistry

Volumn 19, Issue 2, 1998, Pages 123-128

  Oberhammer, Heinz ^a  

^a UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

Conformational properties; Gas electron diffraction; Gas phase structures; Theoretical calculations

Indexed keywords

EID: 0001369032     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19980130)19:2<123::AID-JCC4>3.0.CO;2-W     Document Type: Article

References (38)

1. N. S. Chiu, J. D. Ewbank, M. Askari, and L. Schäfer, J. Mol. Struct., 54, 185 (1979).
2. K. O. Christe, Spectrochim. Acta, 27A, 463 (1971); M. E. Butwill Bell, and J. Laane, Spectrochim. Acta, 28A, 2239 (1972).
3. K. O. Christe, Spectrochim. Acta, 27A, 463 (1971); M. E. Butwill Bell, and J. Laane, Spectrochim. Acta, 28A, 2239 (1972).
4. K. Kimura and K. Osafune, Bull. Chem. Soc. Jpn., 48, 2421 (1975).
5. B. Plesnicar, D. Kocjan, S. Mrovec, and A. Azman, J. Am. Chem. Soc., 98, 3143 (1976).
6. K. Ohkuba, T. Fujita, and H. Sato, J. Mol. Struct., 36, 101 (1977).
7. P. Rademacher and W. Elling, Liebigs Ann. Chem., 1473 (1979).
8. C. Glidewell, J. Mol. Struct., 67, 35 (1980).
9. R. A. Bair and W. A. Goddard III, J. Am. Chem. Soc., 104, 2714 (1982).
10. W. Gase and J. E. Boggs, J. Mol. Struct., 116, 207 (1984).
11. P. Rademacher, unpublished results.
12. B. Haas and H. Oberhammer, J. Am. Chem. Soc., 106, 6146 (1984).
13. D. Christen, unpublished results.
14. D. Christen, H.-G. Mack, and H. Oberhammer, Tetrahedron, 44, 7363 (1988).
15. M. B. Huane and H. U. Suter, J. Mol. Struct. (Theochem), 337, 173 (1995).
16. R. D. Bach, P. Y. Ayala, and H. B. Schlegel, J. Am. Chem. Soc., 118, 12758 (1496).
17. H.-G. Mack, unpublished results.
18. B. Pötter and K. Seppelt, Angew. Chem., 96, 138 (1984).
19. J. E. Boggs, Inorg. Chem., 23, 3577 (1984).
20. B. Pötter, K. Seppelt, A. Simon, E. M. Peters, and B. Hettich, J. Am. Chem. Soc., 107, 980 (1985).
21. D. E. Dixon and B. E. Smart, J. Am. Chem. Soc., 108, 2688 (1986).
22. D. Christen, H.-G. Mack, C. J. Marsden, H. Oberhammer, G. Schatte, K. Seppelt, and H. Willner, J. Am. Chem. Soc., 109, 4009 (1987).
23. H. G. Ang, M. F. Klapdor, W. L. Kwik, Y. W. Lee, H.-G. Mack, D. Mootz, W. Poll, and H. Oberhammer, J. Am. Chem. Soc., 115, 6929 (1993).
24. B. M. Landsberg and K. Iqbal, J. Chem. Soc. Faraday Trans., 2, 1208 (1980).
25. H.-G. Mack, H. Oberhammer, and C. O. Della Védova, J. Mol. Struct., 265, 359 (1992).
26. C. O. Della Védova, H.-G. Mack, and A. Ben Altabef, J. Raman Spectrosc., 24, 621 (1993).
27. H.-G. Mack, C. O. Della Védova, and H. Willner, J. Mol. Struct., 291, 197 (1993).
28. H.-G. Mack, H. Oberhammer, and C. O. Della Védova, J. Mol. Struct. (Theochem), 200, 277 (1989).
29. M. T. Nguyen, M. R. Hajnal, and L. G. Vanquickenborne, J. Mol. Struct. (Theochem), 231, 185 (1991).
30. V. Jonas and G. Frenking, Chem. Phys. Lett., 177, 175 (1991).
31. H.-G. Mack, Habilitationsschrift, Universität Tübingen, Tübingen, Germany, 1994.
32. H. Bock, H. Borrmann, Z. Havlas, H. Oberhammer, K. Ruppert, and A. Simon, Angew. Chem., 103, 1733 (1991); Angew. Chem. Int. Ed. Engl., 30, 1678 (1991).
33. H. Bock, H. Borrmann, Z. Havlas, H. Oberhammer, K. Ruppert, and A. Simon, Angew. Chem., 103, 1733 (1991); Angew. Chem. Int. Ed. Engl., 30, 1678 (1991).
34. W. Luef and R. Keese, Topics Stereochem., 20, 231 (1991).
35. H. M. Sulzbach, E. Bolton, D. Lenoir, P. v. R. Schleyer, and H. F. Schaefer III, J. Am. Chem. Soc., 118, 9908 (1996).
36. N. L. Allinger, unpublished results.
37. H.-G. Mack, unpublished results.
38. M. J. S. Dewar, J. Chem. Phys., 89, 2145 (1985).