-
1
-
-
0000859551
-
-
KRESGE, A. J., and CHIANG, Y., 1973, J. phys. Chem., 77, 822.
-
(1973)
J. Phys. Chem.
, vol.77
, pp. 822
-
-
Kresge, A.J.1
Chiang, Y.2
-
2
-
-
0002449071
-
-
PAULING, L., 1956, J. chem. Educ., 33, 16; 1976, J. chem. Educ., 53, 762; MYERS, R. T., 1976, J. chem. Educ., 53, 17.
-
(1956)
J. Chem. Educ.
, vol.33
, pp. 16
-
-
Pauling, L.1
-
3
-
-
0011268640
-
-
PAULING, L., 1956, J. chem. Educ., 33, 16; 1976, J. chem. Educ., 53, 762; MYERS, R. T., 1976, J. chem. Educ., 53, 17.
-
(1976)
J. Chem. Educ.
, vol.53
, pp. 762
-
-
-
4
-
-
0002683201
-
-
PAULING, L., 1956, J. chem. Educ., 33, 16; 1976, J. chem. Educ., 53, 762; MYERS, R. T., 1976, J. chem. Educ., 53, 17.
-
(1976)
J. Chem. Educ.
, vol.53
, pp. 17
-
-
Myers, R.T.1
-
5
-
-
0000998657
-
-
GIGUERE, P. A., and TURRELL, S., 1980, J. Amer. chem. Soc., 102, 5473.
-
(1980)
J. Amer. Chem. Soc.
, vol.102
, pp. 5473
-
-
Giguere, P.A.1
Turrell, S.2
-
6
-
-
0002572466
-
-
PAUL, M. A., and LONG, F. A., 1957, Chem. Rev., 57, 1.
-
(1957)
Chem. Rev.
, vol.57
, pp. 1
-
-
Paul, M.A.1
Long, F.A.2
-
7
-
-
0002873304
-
-
BELL, R. P., BASCOMBE, K. N., and MCCOURBEY, J. C., 1956, J. chem. Soc., 1286.
-
(1956)
J. Chem. Soc.
, pp. 1286
-
-
Bell, R.P.1
Bascombe, K.N.2
Mccourbey, J.C.3
-
8
-
-
0000570617
-
-
HYMAN, H. H., KILPATRICK, M., and KATZ, J. J., 1957, J. Amer. chem. Soc., 79, 3668.
-
(1957)
J. Amer. Chem. Soc.
, vol.79
, pp. 3668
-
-
Hyman, H.H.1
Kilpatrick, M.2
Katz, J.J.3
-
9
-
-
0002200025
-
-
BRADDY, R., MCTIGUE, P. T., and VERITY, B., 1994, J. Fluorine Chem., 66, 63.
-
(1994)
J. Fluorine Chem.
, vol.66
, pp. 63
-
-
Braddy, R.1
Mctigue, P.T.2
Verity, B.3
-
10
-
-
2542642028
-
-
WHITFIELD, C., and HUDLESTON, L. J., 1924, J. chem. Soc., 125, 260.
-
(1924)
J. Chem. Soc.
, vol.125
, pp. 260
-
-
Whitfield, C.1
Hudleston, L.J.2
-
11
-
-
0542436236
-
-
TUCKERMAN, M., LAASONEN, K., SPRIK, M., and PARRINELLO, M., 1995, J. phys. Chem., 99, 5749; 1996, J. chem. Phys., in press.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5749
-
-
Tuckerman, M.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
12
-
-
0542436236
-
-
in press
-
TUCKERMAN, M., LAASONEN, K., SPRIK, M., and PARRINELLO, M., 1995, J. phys. Chem., 99, 5749; 1996, J. chem. Phys., in press.
-
(1996)
J. Chem. Phys.
-
-
-
13
-
-
0001498808
-
-
LAASONEN, K., and KLEIN, M. L., 1994, J. Amer. chem. Soc., 116, 11620.
-
(1994)
J. Amer. Chem. Soc.
, vol.116
, pp. 11620
-
-
Laasonen, K.1
Klein, M.L.2
-
15
-
-
3342886687
-
-
CHIPOT, C., GORB, L. G., and RIVAIL, J.-L., 1994, J. phys. Chem., 98, 1601.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1601
-
-
Chipot, C.1
Gorb, L.G.2
Rivail, J.-L.3
-
16
-
-
34547515405
-
-
HANNACHI, Y., SILVI, B., and BOUTEILLER, Y., 1991, J. chem. Phys., 94, 2915.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 2915
-
-
Hannachi, Y.1
Silvi, B.2
Bouteiller, Y.3
-
17
-
-
0021376732
-
-
CHANDRASEKHAR, J., SPELLMEYER, D. C., and JORGENSEN, W. L., 1984, J. Amer. chem. Soc., 106, 903; SPRIK, M., KLEIN, M. L., and WANTANABE, K., 1990, J. phys. Chem., 94, 6483.
-
(1984)
J. Amer. Chem. Soc.
, vol.106
, pp. 903
-
-
Chandrasekhar, J.1
Spellmeyer, D.C.2
Jorgensen, W.L.3
-
18
-
-
2042467135
-
-
CHANDRASEKHAR, J., SPELLMEYER, D. C., and JORGENSEN, W. L., 1984, J. Amer. chem. Soc., 106, 903; SPRIK, M., KLEIN, M. L., and WANTANABE, K., 1990, J. phys. Chem., 94, 6483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 6483
-
-
Sprik, M.1
Klein, M.L.2
Wantanabe, K.3
-
19
-
-
21344497537
-
-
KUZNETSOV, AN. M., 1994, Phys. Chem., 179, 47; COMBARIZA, J. E., KESTNER, N. R., and JORTNER, J., 1994, J. phys. Chem., 100, 2851.
-
(1994)
Phys. Chem.
, vol.179
, pp. 47
-
-
Kuznetsov, An.M.1
-
20
-
-
6244249374
-
-
KUZNETSOV, AN. M., 1994, Phys. Chem., 179, 47; COMBARIZA, J. E., KESTNER, N. R., and JORTNER, J., 1994, J. phys. Chem., 100, 2851.
-
(1994)
J. Phys. Chem.
, vol.100
, pp. 2851
-
-
Combariza, J.E.1
Kestner, N.R.2
Jortner, J.3
-
21
-
-
4243606192
-
-
CAR, R., and PARRINELLO, M., 1985, Phys. Rev. Lett., 55, 2471; LAASONEN, K., PASQUARELLO, A., CAR, R., LEE, C., and VANDERBILT, D., 1993, Phys. Rev. B, 47, 10142.
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Car, R.1
Parrinello, M.2
-
22
-
-
34247648401
-
-
CAR, R., and PARRINELLO, M., 1985, Phys. Rev. Lett., 55, 2471; LAASONEN, K., PASQUARELLO, A., CAR, R., LEE, C., and VANDERBILT, D., 1993, Phys. Rev. B, 47, 10142.
-
(1993)
Phys. Rev. B
, vol.47
, pp. 10142
-
-
Laasonen, K.1
Pasquarello, A.2
Car, R.3
Lee, C.4
Vanderbilt, D.5
-
24
-
-
26144450583
-
-
PERDEW, J., and ZUNGER, A., 1981, Phys. Rev. B, 23, 5048.
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.1
Zunger, A.2
-
25
-
-
4243553426
-
-
BECKE, A. D., 1988, Phys. Rev. A, 38, 3098; 1992, J. chem. Phys., 96, 2155.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
26
-
-
77956779984
-
-
BECKE, A. D., 1988, Phys. Rev. A, 38, 3098; 1992, J. chem. Phys., 96, 2155.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
-
27
-
-
26544447599
-
-
LAASONEN, K., SPRIK, M., PARRINELLO, M., and CAR, R., 1993, J. chem. Phys., 99, 9080.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 9080
-
-
Laasonen, K.1
Sprik, M.2
Parrinello, M.3
Car, R.4
-
28
-
-
0003919078
-
-
New York: Van Nostrand
-
HUBER, K. P., and HERZBERG, G., 1979, Molecular Spectra and Molecular Structure, IV, Constants of Diatomic Molecules (New York: Van Nostrand).
-
(1979)
Molecular Spectra and Molecular Structure, IV, Constants of Diatomic Molecules
, vol.4
-
-
Huber, K.P.1
Herzberg, G.2
-
29
-
-
0000900093
-
-
ANDREWS, L., and JOHNSON, G. L., 1983, J. chem. Phys., 79, 3670.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 3670
-
-
Andrews, L.1
Johnson, G.L.2
-
30
-
-
22944472838
-
-
TRIOLO, R., and NARTEN, A. H., 1963, J. chem. Phys., 63, 3624.
-
(1963)
J. Chem. Phys.
, vol.63
, pp. 3624
-
-
Triolo, R.1
Narten, A.H.2
-
31
-
-
37049086754
-
-
NIELSON, G. W., BROADBENT, R. D., HOWELL, I., and TROMP, R. H., 1993, J. chem. Soc. Faraday Trans, 89, 2927.
-
(1993)
J. Chem. Soc. Faraday Trans
, vol.89
, pp. 2927
-
-
Nielson, G.W.1
Broadbent, R.D.2
Howell, I.3
Tromp, R.H.4
-
32
-
-
34249764645
-
-
MARX, D., and PARRINELLO, M., 1994, Z. Phys. B, 95, 143; 1995, Nature, 375, 216; 1996, Science, 271, 179.
-
(1994)
Z. Phys. B
, vol.95
, pp. 143
-
-
Marx, D.1
Parrinello, M.2
-
33
-
-
2542550890
-
-
MARX, D., and PARRINELLO, M., 1994, Z. Phys. B, 95, 143; 1995, Nature, 375, 216; 1996, Science, 271, 179.
-
(1995)
Nature
, vol.375
, pp. 216
-
-
-
34
-
-
0001509513
-
-
MARX, D., and PARRINELLO, M., 1994, Z. Phys. B, 95, 143; 1995, Nature, 375, 216; 1996, Science, 271, 179.
-
(1996)
Science
, vol.271
, pp. 179
-
-
|