-
1
-
-
0004141657
-
-
Labanowski, J., Andzelm, J., Eds.; Springer-Verlag: Berlin
-
Salahub, D. R., Fournier, R., Mlynarcki, P ; Papai, I.; St-Amant, A.; Ushio, J. In Theory and Applications of Density Functional Approaches to Chemistry; Labanowski, J., Andzelm, J., Eds.; Springer-Verlag: Berlin, 1990
-
(1990)
Theory and Applications of Density Functional Approaches to Chemistry
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarcki, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
3
-
-
0001645699
-
-
Sosa, C.; Andzelm, J.; Elkin, B. C.; Wimmer, E.; Dobbs K. D.; Dixon, D. A. J. Phys. Chem. 1992, 96, 6630.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6630
-
-
Sosa, C.1
Andzelm, J.2
Elkin, B.C.3
Wimmer, E.4
Dobbs, K.D.5
Dixon, D.A.6
-
6
-
-
0003564877
-
-
Clementi, E., Ed.; Escom: Leiden
-
Corongiu, G.; Aida, M.; Pas, M F.; Clementi, E. In MOTECC, Modern Techniques in Computational Chemistry; Clementi, E., Ed.; Escom: Leiden, 1991.
-
(1991)
MOTECC, Modern Techniques in Computational Chemistry
-
-
Corongiu, G.1
Aida, M.2
Pas, M.F.3
Clementi, E.4
-
8
-
-
0039194813
-
-
(a) Wong, M. W.; Frisch, M. J.; Wiberg, K. B. J. Am. Chem. Soc. 1991, 113, 4476.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4476
-
-
Wong, M.W.1
Frisch, M.J.2
Wiberg, K.B.3
-
9
-
-
0000835218
-
-
(b) Wong, M. W.; Wiberg, K. B.; Frisch, M. J J. Am. Chem. Soc. 1992, 114, 523.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 523
-
-
Wong, M.W.1
Wiberg, K.B.2
Frisch, M.J.3
-
10
-
-
0542430115
-
-
(c) Wong, M. W.; Wiberg, K. B.; Frisch, M. J J. Am. Chem. Soc. 1992, 114, 1645
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1645
-
-
Wong, M.W.1
Wiberg, K.B.2
Frisch, M.J.3
-
11
-
-
84962469196
-
-
(a) Tomasi, J.; Bonaccorsi, R., Cammi, R.; Olivares del Valle, F J. TEOCHEM 1991, 234, 401.
-
(1991)
TEOCHEM
, vol.234
, pp. 401
-
-
Tomasi, J.1
Bonaccorsi, R.2
Cammi, R.3
Olivares del Valle, F.J.4
-
12
-
-
84946893847
-
-
(b) Miertius, S.; Scrocco, E.; Tomasi, J. Chem Phys. 1990, 55, 117.
-
(1990)
Chem Phys.
, vol.55
, pp. 117
-
-
Miertius, S.1
Scrocco, E.2
Tomasi, J.3
-
14
-
-
84986506365
-
-
(b) J. Comput. Chem. 1992, 13, 1089.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 1089
-
-
-
17
-
-
0000200596
-
-
(c) Kober, E. M.; Sullivan, B. P.; Meyer, T. J. Inorg. Chem. 1984, 23, 2098.
-
(1984)
Inorg. Chem.
, vol.23
, pp. 2098
-
-
Kober, E.M.1
Sullivan, B.P.2
Meyer, T.J.3
-
24
-
-
0001363255
-
-
Braterman, P. S., Ed.; Plenum: New York
-
(b) Bottomley, F. In Reactions of Coordinated Ligands, Braterman, P. S., Ed.; Plenum: New York, 1989. Vol. 2, p 115.
-
(1989)
Reactions of Coordinated Ligands
, vol.2
, pp. 115
-
-
Bottomley, F.1
-
25
-
-
25744480494
-
-
and references therein
-
Baraldo, L. M.; Bessega, M S., Rigotti, G. E.; Olabe, J. A. Inorg. Chem. 1994, 33, 5980 and references therein.
-
(1994)
Inorg. Chem.
, vol.33
, pp. 5980
-
-
Baraldo, L.M.1
Bessega, M.S.2
Rigotti, G.E.3
Olabe, J.A.4
-
26
-
-
0027104253
-
-
Stamler, J S.; Singel, D. J ; Loscalzo, J. Science 1992, 258, 1898.
-
(1992)
Science
, vol.258
, pp. 1898
-
-
Stamler, J.S.1
Singel, D.J.2
Loscalzo, J.3
-
29
-
-
0001277532
-
-
Gans, P.; Sabatini, A.; Sacconi, L. Inorg. Chem. 1966, 5, 1877.
-
(1966)
Inorg. Chem.
, vol.5
, pp. 1877
-
-
Gans, P.1
Sabatini, A.2
Sacconi, L.3
-
30
-
-
85033053816
-
-
Clementi, E., Ed ; Stef: Cagliari, Chapter 12
-
Estrin, D. A.; Corongiu, G.; Clementi, E In METECC, Methods and Techniques in Computational Chemistry; Clementi, E., Ed ; Stef: Cagliari, 1993, Chapter 12.
-
(1993)
METECC, Methods and Techniques in Computational Chemistry
-
-
Estrin, D.A.1
Corongiu, G.2
Clementi, E.3
-
33
-
-
36449007241
-
-
(a) Sim, F , Salahub, D. R.; Chin, S.; Dupuis, M. J. Chem. Phys. 1991, 95, 4317.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 4317
-
-
Sim, F.1
Salahub, D.R.2
Chin, S.3
Dupuis, M.4
-
34
-
-
0001042824
-
-
(b) Sim, F.; St-Amant, A.; Papai, I., Salahub, D. R. J. Am. Chem. Soc. 1992, 114, 4391
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 4391
-
-
Sim, F.1
St-Amant, A.2
Papai, I.3
Salahub, D.R.4
-
35
-
-
0000409748
-
-
Andzelm, J . Radzio, E.; Salahub, D R J. Comput Chem. 1985, 6, 520.
-
(1985)
J. Comput Chem.
, vol.6
, pp. 520
-
-
Andzelm, J..1
Radzio, E.2
Salahub, D.R.3
-
36
-
-
0000216001
-
-
Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
37
-
-
18144378706
-
-
Erratum, Ibid. 1986, B34, 7406
-
Perdew, P W. Phys. Rev. 1986, B33, 8800, Erratum, Ibid. 1986, B34, 7406.
-
(1986)
Phys. Rev.
, vol.B33
, pp. 8800
-
-
Perdew, P.W.1
-
40
-
-
2742565028
-
-
Manuscript in preparation
-
Estrin, D. A., Hamra, Y.; Paglieri, L.; Slep, L. D.; Olabe, J. Manuscript in preparation.
-
-
-
Estrin, D.A.1
Hamra, Y.2
Paglieri, L.3
Slep, L.D.4
Olabe, J.5
-
41
-
-
0002819807
-
-
Gentil, L. A.; Navaza, A.; Olabe, J. A.; Rigotti, G. E. Inorg. Chim. Acta 1991, 179, 89.
-
(1991)
Inorg. Chim. Acta
, vol.179
, pp. 89
-
-
Gentil, L.A.1
Navaza, A.2
Olabe, J.A.3
Rigotti, G.E.4
-
45
-
-
0002616549
-
-
Paliani, G.; Poletti, A.; Santucci, A. J. Mol. Struct. 1971, 8, 63.
-
(1971)
J. Mol. Struct.
, vol.8
, pp. 63
-
-
Paliani, G.1
Poletti, A.2
Santucci, A.3
-
48
-
-
0001162750
-
-
Khanna, R. K.; Brown, C. W.; Jones, L. H. Inorg. Chem. 1969, 8, 2195
-
(1969)
Inorg. Chem.
, vol.8
, pp. 2195
-
-
Khanna, R.K.1
Brown, C.W.2
Jones, L.H.3
-
49
-
-
0001294622
-
-
Amalvy, J. I.; Varetti, E. L.; Aymonino, P. J.; Castellano, E. E.; Piro, O. E.; Punte, G. J. Cryst. Spectrosc. Res. 1986, 16, 537.
-
(1986)
J. Cryst. Spectrosc. Res.
, vol.16
, pp. 537
-
-
Amalvy, J.I.1
Varetti, E.L.2
Aymonino, P.J.3
Castellano, E.E.4
Piro, O.E.5
Punte, G.6
-
50
-
-
0021973149
-
-
Amalvy, J. I.; Varetti, E. L.; Aymonino, P. J. J. Phys. Chem Solids 1985, 46, 1153.
-
(1985)
J. Phys. Chem Solids
, vol.46
, pp. 1153
-
-
Amalvy, J.I.1
Varetti, E.L.2
Aymonino, P.J.3
-
52
-
-
0002806446
-
-
Amalvy, J. I.; Varetti, E. L.; Aymonino, P. J. An. Asoc. Quim Argent. 1986, 74, 437.
-
(1986)
An. Asoc. Quim Argent.
, vol.74
, pp. 437
-
-
Amalvy, J.I.1
Varetti, E.L.2
Aymonino, P.J.3
-
53
-
-
0002740467
-
-
Rigotti, G ; Aymonino, P J.; Varetti, E. L. J. Cryst. Spectrosc. Res. 1984, 14, 517
-
(1984)
J. Cryst. Spectrosc. Res.
, vol.14
, pp. 517
-
-
Rigotti, G.1
Aymonino, P.J.2
Varetti, E.L.3
-
55
-
-
49149135561
-
-
Della Vedova, C. O.; Lesk, J. H.; Varetti, E. L., Aymonino, P. J.; Piro, O. E.; Riveio, B. E.; Castellano, E. E. J. Mol. Struct. 1981, 170, 241.
-
(1981)
J. Mol. Struct.
, vol.170
, pp. 241
-
-
Della Vedova, C.O.1
Lesk, J.H.2
Varetti, E.L.3
Aymonino, P.J.4
Piro, O.E.5
Riveio, B.E.6
Castellano, E.E.7
-
56
-
-
0024936991
-
-
Vergara, M. M.; Varetti, E. L.; Rigotti G.; Navaza, A. J. Phys. Chem. Solids, 1989, 50, 951.
-
(1989)
J. Phys. Chem. Solids
, vol.50
, pp. 951
-
-
Vergara, M.M.1
Varetti, E.L.2
Rigotti, G.3
Navaza, A.4
-
57
-
-
31044439197
-
-
Varetti, E. L.; Vergara, M. M.; Rigotti, G.; Navaza, A. J. Phys. Chem Solids 1990, 51, 381.
-
(1990)
J. Phys. Chem Solids
, vol.51
, pp. 381
-
-
Varetti, E.L.1
Vergara, M.M.2
Rigotti, G.3
Navaza, A.4
-
59
-
-
25744447158
-
-
Gutmann, V. The Donor-Acceptor Approach to Molecular Interactions; Plenum: New York, 1980; Electrochim. Acta 1976, 21, 661.
-
(1976)
Electrochim. Acta
, vol.21
, pp. 661
-
-
-
62
-
-
2742596921
-
-
Private communication
-
Timpson, C J.; Bignozzi, C. A.; Sullivan, B. P.; Kober, E. M.; Meyer, T. M. Private communication.
-
-
-
Timpson, C.J.1
Bignozzi, C.A.2
Sullivan, B.P.3
Kober, E.M.4
Meyer, T.M.5
-
63
-
-
0002541061
-
-
Bowden, W. L.; Bonnar, P.; Brown, D. B.; Geiger, W. E., Jr. Inorg Chem. 1977, 16, 41.
-
(1977)
Inorg Chem.
, vol.16
, pp. 41
-
-
Bowden, W.L.1
Bonnar, P.2
Brown, D.B.3
Geiger Jr., W.E.4
-
64
-
-
0004651476
-
-
Holzbecher, M.; Knop, O.; Falk, M. Can. J. Chem. 1971, 49, 1413.
-
(1971)
Can. J. Chem.
, vol.49
, pp. 1413
-
-
Holzbecher, M.1
Knop, O.2
Falk, M.3
-
65
-
-
84986513644
-
-
(a) Field, M. J.; Bash, P. A., Karplus, M. J. Comput. Chem. 1990, 11, 700.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 700
-
-
Field, M.J.1
Bash, P.A.2
Karplus, M.3
-
66
-
-
0010797314
-
-
(b) Estrin, D. A.; Liu, L.; Singer, S. J. J. Phys. Chem. 1992, 96, 5325.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 5325
-
-
Estrin, D.A.1
Liu, L.2
Singer, S.J.3
-
67
-
-
0026586147
-
-
(a) Stamler, J. S.; Simon, D. I.; Osborne, J. A ; Mullins, M. E ; Jaraki, O.; Michel, T.; Sinsel, D. J., Loscalzo, J. Proc. Natl. Acad. Sci. U.S.A 1992, 89, 444.
-
(1992)
Proc. Natl. Acad. Sci. U.S.A
, vol.89
, pp. 444
-
-
Stamler, J.S.1
Simon, D.I.2
Osborne, J.A.3
Mullins, M.E.4
Jaraki, O.5
Michel, T.6
Sinsel, D.J.7
Loscalzo, J.8
-
68
-
-
0028132836
-
-
(b) Stamler, J. S Cell 1994, 78, 931.
-
(1994)
Cell
, vol.78
, pp. 931
-
-
Stamler, J.S.1
|