Theoretical studies on hydrogen bonding in hydroxylamine clusters and liquid

Journal of Molecular Structure: THEOCHEM

Volumn 465, Issue 2-3, 1999, Pages 141-155

  Sagarik, Kritsana ^a  

^a SURANAREE UNIVERSITY OF TECHNOLOGY   (Thailand)

Author keywords

Ab initio; Dimer; Hydroxylamine; Liquid; Trimer

Indexed keywords

HYDROXYLAMINE;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL INTERACTION; ENERGY; HYDROGEN BOND; LIQUID; MOLECULAR DYNAMICS; SIMULATION; STRUCTURE ANALYSIS;

EID: 0033535870     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00325-X     Document Type: Article

References (42)

1. Yeo G.A., Ford T.A. Theor. Chim. Acta. 81:1992;255.
2. Yeo G.A., Ford T.A. J. Chem. Soc. Faraday Trans. 86:1990;3067.
3. Yeo G.A., Ford T.A. Chem. Phys. Lett. 178:1991;266.
4. Yeo G.A., Ford T.A. Spectrochim. Acta. 50A:1994;5.
5. Yeo G.A., Ford T.A. J. Mol. Struct. 141:1986;331.
6. Yeo G.A., Ford T.A. J. Mol. Struct. 270:1992;417.
7. Yeo G.A., Ford T.A. J. Mol. Struct. 217:1990;307.
8. Brown R.E., Zhang Q., Bartlett R.J. J. Am. Chem. Soc. 113:1991;5248.
9. Scott J.L., Luckhaus D., Brown S.S., Crim F.F. J. Chem. Phys. 102:1995;675.
10. Michopoulos Y., Botschwina P., Rode B.M. Z. Naturforsch. 46A:1991;32.
11. Michopoulos Y., Rode B.M. Physica Scripta. T38:1991;84.
12. Tsunekawa S. J. Phys. Soc. Japan. 33:1972;167.
13. Boehm H.J., Ahlrichs R. J. Chem. Phys. 77:1982;2028.
14. Sagarik K.P., Ahlrichs R., Brode S. Mol. Phys. 57:1986;1247.
15. Sagarik K.P., Ahlrichs R. Chem. Phys. Lett. 131:1986;74.
16. Boehm H.J., Meissner C., Ahlrichs R. Mol. Phys. 53:1984;651.
17. Boehm H.J., Ahlrichs R. Mol. Phys. 55:1985;1159.
18. Sagarik K.P., Ahlrichs R. J. Chem. Phys. 86:1987;5117.
19. Sagarik K.P., Pongpituk V., Chiyapongs S., Sisot P. Chem. Phys. 156:1991;439.
20. Sagarik K.P., Spohr E. Chem. Phys. 199:1995;73.
21. Sagarik K.P., Asawakun P. Chem. Phys. 219:1997;173.
22. Williams D.E., Weller R.R. J. Am. Chem. Soc. 105:1983;4143.
23. Breneman C.M., Wiberg K.B. J. Comput. Chem. 11:1990;361.
24. Tsunekawa S. J. Phys. Soc. Japan. 33:1972;167.
25. J.B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian, Inc., Pittsburgh, 1996.
26. Schlegel H.B. J. Comput. Chem. 3:1982;214.
27. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AI-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
28. Boys S.F., Bemardi F. Mol. Phys. 19:1970;553.
29. Leutwyler S., Buergi T., Schuetz M., Taylor A. Faraday Discuss. 97:1994;285.
30. Mo O., Yanez M., Elguero J. J. Mol. Struct. (Theochem). 314:1994;73.
31. M. Windholz (Ed.), The Merck Index, Merck and Co. Inc., Rahway, NJ, 1983.
32. K. Refson, Moldy User's Manual, Department of Earth Science, Oxford University, 1996.
33. Jorgensen W.L. J. Am. Chem. Soc. 102:1980;543.
34. Jorgensen W.L. J. Am. Chem. Soc. 103:1981;341.
35. Haughney M., Ferrario M., McDonald I.R. Mol. Phys. 58:1986;849.
36. Haughney M., Ferrario M., McDonald I.R. J. Phys. Chem. 91:1987;4934.
37. Palinkas G., Hawlicka E., Heinzinger K. J. Phys. Chem. 91:1987;4334.
38. Magini M., Paschina G., Piccaluga G. J. Chem. Phys. 77:1982;2051.
39. J.A. Dean, Lange's Handbook of Chemistry, 4th Ed., McGraw-Hill, New York, 1992.
40. Anwander E.H.S., Probst M.M., Rode B.M. Chem. Phys. 166:1992;341.
41. Back R.A., Betts J. Can. J. Chem. 43:1965;2157.
42. Hurle R.L., Woolf L.A. Aust. J. Chem. 33:1980;1947.