Germanium(II) in water: An unusual hydration structure results of a QMCF MD simulation

Chemical Physics Letters

Volumn 470, Issue 1-3, 2009, Pages 85-89

  Sikander Azam, S ^a   Hofer, Thomas S ^a   Randolf, Bernhard R ^a   Rode, Bernd M ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH; DISTRIBUTION FUNCTIONS; GERMANIUM; MOLECULAR DYNAMICS; PROBABILITY DISTRIBUTIONS; QUANTUM THEORY; SULFUR COMPOUNDS; VIBRATIONS (MECHANICAL);

AB-INITIO; CHARGE FIELDS; DYNAMICAL PROPERTIES; HYDRATION SHELLS; HYDRATION STRUCTURES; KINETIC PROPERTIES; MAXIMUM PROBABILITIES; MD SIMULATIONS; MOLECULAR-DYNAMICS SIMULATIONS; QUANTUM MECHANICALS; QUANTUM MECHANICS; RADIAL DISTRIBUTION FUNCTIONS; RESTRICTED HARTREE-FOCK;

HYDRATION;

EID: 63749128286     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.01.041     Document Type: Article

References (41)

1. Brattain W.H., and Bardeen J. Phys. Rev. 74 02 (1948) 231
2. Wittmann R., and Selberherr S. Solid-State Electron. 51 (2007) 982
3. Kunz D., Kees V., Steven C., and Ashburn P. IEEE Trans. Electron. Dev. 50 6 (2003) 1480
4. Alianelli L., Sanchez M.R., and Felici R. J. Appl. Crystallogr. 37 (2004) 732
5. Lepikh Y., Smyntyna V., Snigur P., and Olikh Y. J. Phys.: Conf. Ser. 76 (2007) 12050
6. Asai K. Miracle Cure Organic Germanium (1989), Japan Publications, Inc., Japan
7. Ignatenko M.A. J. Pharm. Chem. 04 (1987) 236
8. Tao S.H., and Bolger P.M. Regul. Toxicol. Pharmacol. 25 (1997) 211
9. Colace L., Balbi M., Masini G., Assanto G., Luanm H., and Kimmerling L.C. J. Appl. Phys. 88 10 (2006) 1
10. Jones R., Thomas S., Bharatan S., Thoma R., Jasper C., and Zirkle T. Int. Electron Dev. Meet. 88 (2002) 793
11. Hofer T.S., Pribil A.B., Randolf B.R., and Rode B.M. J. Am. Chem. Soc. 127 41 (2005) 14231
12. Hofer T.S., and Rode B.M. J. Chem. Phys. 121 13 (2004) 6406
13. Schwenk C.F., Tongraar A., and Rode B.M. J. Mol. Liquids 110 3 (2004) 105
14. Lee S.H., and Rasaiah J.C. J. Phys. Chem. 100 4 (1996) 1420
15. Skipper N.T., and Neilson G.W. J. Phys. Condens. Mat. 1 (1989) 4141
16. Neilson G.W., and Tromp R.H. Annu. Rev. Phys. Chem. 88 (1991) 45
17. Shah S.A., Hofer T.S., Fatmi Q.M., Randolf B.R., and Rode B.M. Chem. Phys. Lett. 426 4 (2006) 301
18. Schwenk C.F., and Rode B.M. J. Chem. Phys. 119 (2003) 9523
19. Hofer T.S., Randolf B.R., and Rode B.M. Chem. Phys. Lett. 422 (2006) 492
20. Hofer T.S., Randolf B.R., and Rode B.M. Molecular Dynamics Simulation Methods including Quantum Effects. Solvation Effects on Molecules and Biomolecules (2008), Springer, Heidelberg
21. Rode B.M., Hofer T.S., Randolf B.R., Schwenk C.F., Xenides D., and Vchirawongkwin V. Theor. Chem. Acc. 115 (2006) 77
22. Rode B.M., and Hofer T.S. Pure Appl. Chem. 78 3 (2006) 525
23. Peterson K.A., Figgen D., Dolg M., and Stoll H. J. Chem. Phys. 126 12 (2007) 124101
24. Dunning Jr. T.H. J. Chem. Phys. 53 (1970) 2823
25. Warshel A., and Levitt M. J. Mol. Biol. 103 (1976) 227
26. Field M.J., Bash P.A., and Karplus M. J. Comput. Chem. 11 (1990) 700
27. Gao J. J. Am. Chem. Soc. 115 (1993) 2930
28. Bakowies D., and Thiel W. J. Phys. Chem. 100 (1996) 10580
29. Berendsen H.J., Grigera J.R., and Straatsma T.P. J. Phys. Chem. 91 (1987) 6269
30. Onsager L. J. Am. Chem. Soc. 58 (1936) 1486
31. Stillinger F.H., and Rahman A. J. Chem. Phys. 68 (1978) 666
32. Bopp P., Jancso G., and Heinzinger K. Chem. Phys. Lett. 98 (1983) 129
33. Helm L., and Merbach A. Coord. Chem. Rev. 187 1 (1999) 151
34. Hofer T.S., Tran H.T., Schwenk C.F., and Rode B.M. J. Comput. Chem. 125 (2004) 211
35. Rode B.M., Schwenk C.F., Hofer T., and Randolf B. Coord. Chem. Rev. 249 (2005) 2993
36. Hofer T.S., and Rode B.M. Chem. Phys. 312 (2005) 81
37. Schwenk C.F., Loeffler H.H., and Rode B.M. Pure Appl. Chem. 76 1 (2004) 37
38. Armunanto R., Schwenk C.F., and Rode B.M. J. Phys. Chem. A 107 (2003) 3132
39. Armunanto R., Schwenk C.F., Tran H.T., and Rode B.M. J. Am. Chem. Soc. 126 (2004) 2582
40. Fatmi M.Q., Hofer T.S., Randolf B.R., and Rode B.M. J. Comput. Chem. 28 10 (2007) 1704
41. Hofer T.S., Pribil A.B., Randolf B.R., and Rode B.M. Chem. Phys. 349 03 (2008) 182