Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(1 0 0)-2 × 1 surface

Chemical Physics

Volumn 347, Issue 1-3, 2008, Pages 218-228

  Shemesh, Dorit ^a   Mullin, Jonathan ^b   Gordon, Mark S ^b   Gerber, R Benny ^a,c  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b IOWA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Adsorption; Cluster; Glycine; Improved PM3; Si(1 0 0) 2 1 surface; Vibrational spectroscopy; VSCF

Indexed keywords

EID: 43049165471     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.09.062     Document Type: Article

References (41)

1. Kasemo B. Surf. Sci. 500 (2002) 656
2. Langel W., and Menken L. Surf. Sci. 538 (2003) 1
3. Lausmaa J., Lofgren P., and Kasemo B. J. Biomed. Mater. Res. 44 (1999) 227
4. Rankin R.B., and Sholl D.S. Surf. Sci. 548 (2004) 301
5. Efstathiou V., and Woodruff D.P. Surf. Sci. 531 (2003) 304
6. Barlow S.M., Kitching K.J., Haq S., and Richardson N.V. Surf. Sci. 401 (1998) 322
7. Nyberg M., Odelius M., Nilsson A., and Pettersson L.G.M. J. Chem. Phys. 119 (2003) 12577
8. Lofgren P., Krozer A., Chakarov D.V., and Kasemo B. J. Vac. Sci. Technol. A 16 (1998) 2961
9. Meng M., Stievano L., and Lambert J.F. Langmuir 20 (2004) 914
10. Lopez A., Heller T., Bitzer T., and Richardson N.V. Chem. Phys. 277 (2002) 1
11. Qu Y.Q., Wang Y., Li J., and Han K.L. Surf. Sci. 569 (2004) 12
12. Rankin R.B., and Sholl D.S. J. Phys. Chem. B 109 (2005) 16764
13. Ferraz A.C., and Miotto R. Braz. J. Phys. 36 (2006) 309
14. Jung Y.S., Shao Y.H., Gordon M.S., Doren D.J., and Head-Gordon M. J. Chem. Phys. 119 (2003) 10917
15. Jung Y.S., Akinaga Y., Jordan K.D., and Gordon M.S. Theor. Chem. Acc. 109 (2003) 268
16. Olson R.M., and Gordon M.S. J. Chem. Phys. 124 (2006) 081105
17. Gerber R.B., and Ratner M.A. Adv. Chem. Phys. 70 (1988) 97
18. Gerber R.B., and Ratner M.A. Chem. Phys. Lett. 68 (1979) 195
19. Brauer B., Chaban G.M., and Gerber R.B. Phys. Chem. Chem. Phys. 6 (2004) 2543
20. Schmidt M.W., Baldrigde K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S., Windus T.L., Dupuis M., and Montgomery J.A. J. Comp. Chem. 14 (1993) 1347
21. Gordon M.S., and Schmidt M.W. Advances in Electronic Structure Theory: GAMESS a Decade Later (2005), Elsevier
22. Jung J.O., and Gerber R.B. J. Chem. Phys. 105 (1996) 10332
23. Brauer B., Gerber R.B., Kabelac M., Hobza P., Bakker J.M., Riziq A.G.A., and De Vries M.S. J. Phys. Chem. A 109 (2005) 6974
24. Chaban G.M., Jung J.O., and Gerber R.B. J. Phys. Chem. A 104 (2000) 10035
25. Miller Y., Chaban G., and Gerber R.B. J. Phys. Chem. A 109 (2005) 6565
26. Adesokan A.A., Fredj E., Brown E.C., and Gerber R.B. Mol. Phys. 103 (2005) 1505
27. Miller Y., Chaban G., and Gerber R.B. Chem. Phys. 313 (2005) 213
28. Adesokan A.A., Pan D., Fredj E., Mathies R.A., and Gerber R.B. J. Am. Chem. Soc. 129 (2007) 4584
29. Adesokan A.A., Chaban G., Dopfer O., and Gerber R.B. J. Phys. Chem. 111 (2007) 7374 (A.R. Miller memorial issue)
30. Wolkow R.A. Phys. Rev. Lett. 68 (1992) 2636
31. Neergaard H., and Yates J.T. Chem. Rev. 95 (1995) 1589
32. Badt D., Wengelnik H., and Neddermeyer H. J. Vac. Sci. Technol. B 12 (1994) 2015
33. Goddard W.A.I., and McGill T.C. J. Vac. Sci. Technol. 16 (1979) 1308
34. Hamers R.J., and Wang Y. Chem. Rev. 96 (1996) 1261
35. Shoemaker J.R., Burggraf J.W., and Gordon M.S. J. Chem. Phys. 112 (2000) 2994
36. Gordon M.S., Shoemaker J.R., and Burggraf L.W. J. Chem. Phys. 113 (2000) 9355
37. Swihart M.T., and Girshick S.L. Chem. Phys. Lett. 307 (1999) 527
38. Pele L., Brauer B., and Gerber R.B. Theor. Chem. Acc. 117 (2007) 69
39. Verwoerd W.S., and Weimer K. J. Comput. Chem. 12 (1991) 417
40. Schaftenaar G., and Noordik J.H. J. Comput. Aided Mol. Design 14 (2000) 123
41. Bode B.M., and Gordon M.S. J. Mol. Graph. Model. 16 (1998) 133