Quantum chemical semiempirical approach to the structural and thermodynamic characteristics of fluoroalkanols at the air/water interface

Journal of Physical Chemistry B

Volumn 109, Issue 1, 2005, Pages 454-462

  Vysotsky, Yu B ^a   Bryantsev, V S ^b   Boldyreva, F L ^c   Fainerman, V B ^d   Vollhardt, D ^e  

^a Donetsk State University of Economy and Trade   (Ukraine)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c DONBAS NATIONAL ACADEMY OF CIVIL ENGINEERING AND ARCHITECTURE   (Ukraine)

^d DONETSK MEDICAL UNIVERSITY   (Ukraine)

^e MAX PLANCK INSTITUTE OF COLLOIDS AND INTERFACES   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AIR/WATER INTERFACE; CLUSTERIZATION; FLUOROALKANOLS; TRIMERS;

AIR; COMPOSITION; DIMERIZATION; DIMERS; HYDROCARBONS; MOLECULES; QUANTUM THEORY; STRUCTURE (COMPOSITION); THERMODYNAMIC PROPERTIES; WATER;

MONOMERS;

ALCOHOL DERIVATIVE; WATER;

AIR; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SURFACE PROPERTY; THERMODYNAMICS;

AIR; ALCOHOLS; MODELS, MOLECULAR; QUANTUM THEORY; SURFACE PROPERTIES; THERMODYNAMICS; WATER;

EID: 12344293830     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048240e     Document Type: Article

References (24)

1. Hobza, P.; Zahradnic, R. Intermodular Complexes. The Role of van der Waals Systems in Physical Chemistry and in Biodisciplines, Academia Praga: Prague, 1988.
2. Stone, A. J. The Theory of Inlermolecular Forces, International Series of Monographs on Chemistry 32; Clarendon Press: Oxford, 1996.
3. Metzger, T. G.; Ferguson, D. M.; Glauser, W. A. J. Comput. Chem. 1997, 18, 70.
4. Para, R. D.; Zeng, X. C. J. Mol. Struct. (THEOCHEM) 2000, 503, 213.
5. Tsuzuki, S.; Uchimaru, T.; Mikami, M.; Urata, S. J. Chem. Phys. 2002, 116, 3309.
6. Hagemeister, F. C.; Gruenloh, C. J.; Zwier. T. C. J. Phys. Chem. A 1998, 102, 82.
7. Zimmermann, D.; Haber, T.; Schaal, H.; Suhm, M. A. Mol. Phys. 2001, 99, 413.
8. Huelsekopf, M.; Ludwig, R. J. Mol. Liq. 2000, 85, 105.
9. Dewar, M. J. S.; Zoebish, E. G.; Heally, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
10. Siewart, J. J. P. J. Comput. Chem. 1989, 2, 209.
11. Vysotsky, Yu. B.; Bryantsev, V. S.; Fainerman. V. B.; Vollhardt, D.; Miller, R. Colloids Surf., A 2002, 209 1.
12. Vysotsky, Yu. B.; Bryamsev. V. S.; Fainerman, V. B.; Vollhardt, D.; Miller, R. J. Phys. Chem. B 2002, 106, 121.
13. Vysotsky, Yu. B.; Bryamsev, V. S.; Fainerman, V. B.; Vollhardt, D. J. Phys. Chem. B 2002, 106, 11285.
14. Takiue, T.; Vollhardt, D. Colloids Surf., A 2002, 198-200 797.
15. Schaal, H.; Haber, T.; Suhm, M. A. J Phys. Chem. A 2000, 104, 265.
16. Byutner, O. G.; Smith, G. D. Macromolecules 2000, 33, 4264.
17. Sprik, M.; Rothlisberger, U.; Klein, M. L. J Phys. Chem. B 1997, 101, 2745.
18. Cui, S. T.; Siepmann, J. I.; Cochran, H. D.; Cumminds, P. T. Fluid Phase Equilib, 1998, 146 56.
19. Stewart, J.J P. MOPAC 2000.00 Manual; Fujitsu Limited: Tokyo, Japan, 1999.
20. Polymer Handbook; Brandrup, J., Immergut, E. H., Eds.; Wiley-Interscience: New York, 1989.
21. Smith, G. D.; Jaffe, R. L.; Yoon, D. Y. Macromolecules 1994, 27, 3166.
22. Watkins, E. K.; Jorgensen. W. L. J. Phys. Chem. A 2001, 105, 4118.
23. Holt, D. B.; Farmer, B. L.; Macturk, K. S.; Eby, R. K. Polymer 1996, 37, 1847.
24. Vollhardt, D.; Fainerman, V. B. J. Phys. Chem. B 2004, 108, 297.