Electronic structures and the stabilities of metastable states in [Ru(CN)5NO]2-: A theoretical study

Chemical Physics Letters

Volumn 412, Issue 1-3, 2005, Pages 164-170

  Ishikawa, Takeshi ^a   Tanaka, Kiyoshi ^a,b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; CRYSTALS; ELECTRONIC STRUCTURE; GROUND STATE; POTENTIAL ENERGY; STABILITY; THERMAL EFFECTS;

COMPLEXES; DECAY TEMPERATURES; METASTABLE STATES; POTENTIAL ENERGY SURFACES;

RUTHENIUM COMPOUNDS;

EID: 23244465319     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.117     Document Type: Article

References (30)

1. U. Hauser, V. Oestreich, and H.D. Rohrweck Z. Phys. A 280 1977 125
2. P. Gütlich, Y. Garcia, and Th. Woike Coord. Chem. Rev. 219-221 2001 839
3. P. Coppens, I. Novozhilova, and A. Kovalevsky Chem. Rev. 102 2002 861
4. P.T. Manoharan, and H.B. Gray Inorg. Chem. 5 1966 823
5. Y. Morioka, H. Saitoh, and H. Machida J. Phys. Chem. A 106 2002 3517
6. M.E. Chaćon Villalba, J.A. Güida, E.L. Varetti, and P.J. Aymonino Inorg. Chem. 42 2003 2622
7. M.E. Chaćon Villalba, J.A. Güida, E.L. Varetti, and P.J. Aymonino Spectrochim. Acta A 57 2001 367
8. W. Krasser, Th. Woike, P.S. Bechthold, and S. Haussühl J. Mol. Struct. 114 1984 57
9. Y. Morioka, and H.-o. Hamaguchi J. Phys. Chem. Solids 53 1992 967
10. M.D. Carducci, M.R. Pressprich, and P. Coppens J. Am. Chem. Soc. 119 1997 2669
11. P. Coppens, D.V. Fomitchev, M.D. Carducci, and K. Culp J. Chem. Soc., Dalton Trans. 1998 865
12. D. Schaniel, J. Schefer, B. Delly, M. Imlau, and Th. Woike Phys. Rev. B 66 2002 085103
13. B. Delley, J. Schefer, and T. Woike J. Chem. Phys. 107 1997 10067
14. S.I. Gorelsky, and A.B.P. Lever Int. J. Quantum Chem. 80 2000 636
15. M. Atanasov, and T. Schönherr J. Mol. Struct. 592 2002 79
16. M.E. Chaćon Villalba, E.L. Varetti, and P.J. Aymonino Spectrochim. Acta A 55 1999 1545
17. P. Boulet, M. Buchs, H. Chermette, C. Daul, F. Gilardoni, F. Rogemond, C.W. Schläpfer, and J. Weber J. Phys. Chem. A 105 2001 8991
18. J.A. Cómez, and D. Guenzburger Chem. Phys. 253 2000 73
19. T. Ishikawa, and K. Tanaka J. Chem. Phys. 122 2005 074314
20. D.V. Fomitchev, I. Novozhilova, and P. Coppens Tetrahedron 56 2000 6813
21. Y. Morioka, A. Ishikawa, H. Tomizawa, and E. Miki J. Chem. Soc., Dalton Trans. 2000 781
22. J.A. Güida, M.A. Ramos, O.E. Piro, and P.J. Aymonino J. Mol. Struct. 609 2002 39
23. J.A. Güida, O.E. Piro, P.S. Schaiquevich, and P.J. Aymonino Solid State Commun. 101 1997 471
24. H. Zöllner, W. Krasser, Th. Woike, and S. Haüssuhl Z. Krist. 188 1989 139
25. S. Huzinaga, J. Andzelm, M. Klovukouwski, E. Radzio-Andelm, Y. Sakai, and H. Tatewaki Gaussian Basis Set for Molecular Calculations 1984 Elsevier New York
26. Y. Osanai, M. Sekiya, T. Noro, and T. Koga Mol. Phys. 101 1-2 2003 65
27. J.A. Olabe, L.A. Gentil, G. Rigotti, and A. Navaza Inorg. Chem. 23 1984 4297
28. S.R. Langhoff, and E.R. Davidson Int. J. Quantum Chem. 8 1974 61
29. E.R. Davidson, and D.W. Silver Chem. Phys. Lett. 52 1977 403
30. K. Andersson Molcas 2002 Lund University Sweden