Quantum cluster equilibrium theory treatment of hydrogen-bonded liquids: Water, methanol and ethanol

Molecular Physics

Volumn 101, Issue 10, 2003, Pages 1413-1421

  Borowski, P ^a   Jaroniec, J ^a   Janowski, T ^a   WoliNSki K ^a  

^a MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANOL; HYDROGEN BONDS; LIQUIDS; METHANOL; PHASE COMPOSITION; TEMPERATURE; WATER;

HYDROGEN BONDED LIQUIDS; MOLAR VOLUME;

QUANTUM THEORY;

EID: 1542317441     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000085083     Document Type: Article

References (26)

1. Hinton, J. F., Guthrie, P., Pulay, P., and Wolinski, K., 1992. J. Am. chem. Soc., 114:1604
2. Borowski, P., Janowski, T., and Woliński, K., 2000. Molec. Phys., 98:1331
3. Buckingham, A. D., 1997. Theoretical Treatments of Hydrogen Bonding Edited by:Hadži, D., 1Chichester:John Wiley and Sons, Ltd.
4. Weinhold, F., 1998. J. chem. Phys., 109:367
5. Weinhold, F., 1998. J. chem. Phys., 109:373
6. Ludwig, R., Reis, O., Winter, R., Weinhold, F., and Farrar, T. C., 1998. J. phys. Chem. B, 102:9312
7. Ludwig, R., Weinhold, F., and Farrar, T. C., 1999. Molec. Phys., 97:465
8. Ludwig, R., Weinhold, F., and Farrar, T. C., 1999. Molec. Phys., 97:479
9. Jaroniec, J., Ziólkowska, K., Borowski, P., Janowski, T., and Woliński, K., 2001. Annales 185Lublin, Polonia, Sectio AA:Universitatis Mariae Curie-Sklodowska.
10. Lide, D. R., ed. 1995. CRC Handbook of Chemistry and Physics:1913–1995 Bora Raton:CRC Press, Inc.
11. Jaroniec, J., Ziólkowska, K., Borowski, P., Janowski, T., and Woliński, K., 2001. Annales 198Lublin, Polonia:Universitatis Mariae Curie-Sklodowska. Sectio AA
12. Wendt, M. A., Zeidler, M. D., and Farrar, T. C., 1999. Molec. Phys., 97:753
13. Ferris, T. D., and Farrar, T. C., 2002. Molec. Phys., 100:303
14. Press, W. H., Teukolsky, S. A., Vetterling, W. T., and Flannery, B. P., 1992. Numerical Recipes in Fortran Cambridge:Cambridge University Press.
15. Parr, R. G., and Yang, W., 1989. Density-Functional Theory of Atoms and Molecules New York:Oxford University Press.
16. Becke, A. D., 1993. J. chem. Phys., 98:5648
17. Lee, C., Yang, W., and Parr, R. G., 1993. Phys. Rev. B, 37:785
18. Krishnan, R., Binkley, J. S., Seeger, R., and Pople, J. A., 1980. J. chem. Phys., 72:650
19. Wilson jr, E. B., Decius, J. C., and Cross, P. C., 1955. Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra New York:Dover Publications, Inc.
20. Boys, S. F., and Bernardi, F., 1970. Molec. Phys., 19:553
21. Pauling, L., 1960. The Nature of the Chemical Bond London:Cornell University Press.
22. Silla, E., Tuñón, I., and Pascual-ahuir, J. L., 1991. J. comput. Chem., 12:1077
23. London, F., 1937. J. Phys. Radium, 8:397
24. Ditchfield, R., 1974. Molec. Phys., 27:789
25. Woliński, K., Hinton, J. F., and Pulay, P., 1990. J. Am. chem. Soc., 112:8251
26. Frisch, M. J., Pople, J. A., and Binkley, J. S., 1983. J. chem. Phys., 80:3265