Quantum path-integral molecular dynamics calculations of the dipole-bound state of the water dimer anion

Chemical Physics Letters

Volumn 378, Issue 5-6, 2003, Pages 539-547

  Shiga, Motoyuki ^a   Takayanagi, Toshiyuki ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; DIMER; WATER;

ARTICLE; CHEMICAL STRUCTURE; DIPOLE; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; EMPIRICISM; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR PHYSICS; QUANTUM CHEMISTRY;

EID: 0141674875     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01347-2     Document Type: Article

References (34)

1. Armbruster M., Haberland H., Schindler H.-G. Phys. Rev. Lett. 47:1981;323.
2. Haberland H., Schindler H.-G., Worsnop D.R. Ber. Bunsenges. Phys. Chem. 88:1984;270.
3. Haberland H., Ludewigt C., Schindler H.-G., Worsnop D.R. J. Chem. Phys. 81:1984;3742.
4. Haberland H., Langosch H., Schindler H.-G., Worsnop D.R. J. Phys. Chem. 88:1984;3903.
5. Haberland H., Ludewigt C., Schindler H.-G., Worsnop D.R. Phys. Rev. A. 36:1987;967.
6. Wallqvist A., Thirumalai D., Berne B.J. J. Chem. Phys. 85:1986;1583.
7. Barnett R.N., Landman U., Nitzan A. Phys. Rev. A. 38:1988;2178.
8. Barnett R.N., Landman U., Dhar S., Kestner N.R., Jortner J., Nitzan A. J. Chem. Phys. 91:1989;7797.
9. Clary D.C., Benoit D.M. J. Chem. Phys. 111:1999;10559.
10. Ikeshoji T. Prog. Theo. Phys. Sup. 138:2000;161.
11. Chipman D.M. J. Phys. Chem. 83:1979;1657.
12. Tachikawa H., Ogasawara M. J. Phys. Chem. 94:1990;1746.
13. Tsurusawa T., Iwata S. Chem. Phys. Lett. 287:1998;533.
14. Bouteiller Y., Desfrançois C., Schermann J.P., Latajka Z., Silvi B. J. Chem. Phys. 108:1998;7967.
15. Kim J., Lee J.Y., Oh K.S., Park J.M., Lee S., Kim K.S. Phys. Rev. A. 59:1999;R930.
16. Kim J., Suh S.B., Kim K.S. J. Chem. Phys. 111:1999;10077.
17. Weigend F., Ahlrichs R. Phys. Chem. Chem. Phys. 1:1999;4537.
18. Chen H.-Y., Sheu W.-S. J. Chem. Phys. 110:1999;9032.
19. Tachikawa H. Chem. Phys. Lett. 370:2003;188.
20. Shiga M., Tachikawa M., Miura S. J. Chem. Phys. 115:2001;9149.
21. Groenenboom G.C., Mas E.M., Bukowski R., Szalewicz K., Wormer P.E.S., van der Avoird A. Phys. Rev. Lett. 84:2000;4072.
22. Leforestier C., Gatti F., Feller R.S., Saykally R.J. J. Chem. Phys. 117:2002;8710.
23. Liu K., Cruzan J.D., Saykally R.J. Science. 271:1996;929.
24. Reimer J.R., Watts R.O., Klein M.L. Chem. Phys. 64:1982;95.
25. Coker D.F., Watts R.O. J. Phys. Chem. 91:1996;2513.
26. Barnett R.N., Landman U., Cleveland C.L., Jortner J. J. Chem. Phys. 88:1988;4421.
27. Turi L., Borgis D. J. Chem. Phys. 117:2002;6186.
28. Goldman N., Fellers R.S., Brown M.G., Braly L.B., Keoshian C.J., Leforestier C., Saykally R.J. J. Chem. Phys. 116:2002;10148.
29. Smith B.J., Swanton D.J., Pople J.A., Schaefer H.F., Radmon L. J. Chem. Phys. 92:1997;1240.
30. Taketsugu T., Wales D.J. Mol. Phys. 17:2002;2793.
31. Tschumper G.S., Leininger M.L., Hoffman B.C., Valeev E.F., Schaefer H.F., Quack M. J. Chem. Phys. 116:2002;690.
32. Cafiero M., Bubin S., Adamowicz L. Phys. Chem. Chem. Phys. 5:2003;1491.
33. Tachikawa M., Mori K., Nakai H., Iguchi K. Int. J. Quantum Chem. 70:1998;491.
34. Nakai H. Int. J. Quantum Chem. 86:2002;511.