-
2
-
-
84981653311
-
-
OJAMÄE, L., SHAVITT, I., and SINGER, S. J., 1995, Int. J. quant. Chem., 29, 657-668.
-
(1995)
Int. J. Quant. Chem.
, vol.29
, pp. 657-668
-
-
Ojamäe, L.1
Shavitt, I.2
Singer, S.J.3
-
3
-
-
84962339874
-
-
WEI, D., and SALAHUB, D. R., 1994, J. chem. Phys., 101, 7633.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7633
-
-
Wei, D.1
Salahub, D.R.2
-
4
-
-
0001356079
-
-
MIJOULE, C., LATAJKA, Z., and BORGIS, D., 1993, Chem. Phys. Lett., 208, 364.
-
(1993)
Chem. Phys. Lett.
, vol.208
, pp. 364
-
-
Mijoule, C.1
Latajka, Z.2
Borgis, D.3
-
5
-
-
0000665108
-
-
WEI, D., and SALAHUB, D. R., 1997, J. chem. Phys., 106, 6086.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 6086
-
-
Wei, D.1
Salahub, D.R.2
-
7
-
-
0000480636
-
-
LUTH, K., and SCHEINER, S., 1992, J. chem. Phys., 97, 7507.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7507
-
-
Luth, K.1
Scheiner, S.2
-
9
-
-
84961977058
-
-
MINICHINO, C., and VOTH, G. A., 1997, J. phys. Chem. B, 101, 4544.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 4544
-
-
Minichino, C.1
Voth, G.A.2
-
10
-
-
0001451394
-
-
BARONE, V., ORLANDINI, L., and ADAMO, C., 1994, Chem. Phys. Lett., 231, 295.
-
(1994)
Chem. Phys. Lett.
, vol.231
, pp. 295
-
-
Barone, V.1
Orlandini, L.2
Adamo, C.3
-
12
-
-
0000135791
-
-
TUCKERMAN, M. E., LAASONEN, K., SPRIK, M., and PARRINELLO, M., 1995, J. chem. Phys., 103, 150.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 150
-
-
Tuckerman, M.E.1
Laasonen, K.2
Sprik, M.3
Parrinello, M.4
-
13
-
-
5944238344
-
-
LOBAUGH, J., and VOTH, G. A., 1996, J. chem. Phys., 104, 2056.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2056
-
-
Lobaugh, J.1
Voth, G.A.2
-
14
-
-
0032548589
-
-
VUILLEUMIER, R., and BORGIS, D., 1998, Chem. Phys. Lett., 284, 71.
-
(1998)
Chem. Phys. Lett.
, vol.284
, pp. 71
-
-
Vuilleumier, R.1
Borgis, D.2
-
15
-
-
0001060589
-
-
SAGNELLA, D. E., and TUCKERMAN, M. E., 1998, J. chem. Phys., 108, 2073.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 2073
-
-
Sagnella, D.E.1
Tuckerman, M.E.2
-
16
-
-
7644225147
-
-
VUILLEUMIER, R., and BORGIS, D., 1997, J. molec. Struc., 436-437, 555.
-
(1997)
J. Molec. Struc.
, vol.436-437
, pp. 555
-
-
Vuilleumier, R.1
Borgis, D.2
-
18
-
-
0000763731
-
-
COULSON, C. A., and DANIELSON, U., 1954, Arkiv för Fysik, 8, 239.
-
(1954)
Arkiv för Fysik
, vol.8
, pp. 239
-
-
Coulson, C.A.1
Danielson, U.2
-
19
-
-
0031232910
-
-
KROKIDIS, X., NOURY, S., and SILVI, B., 1997, J. phys. Chem. A, 101, 39.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 39
-
-
Krokidis, X.1
Noury, S.2
Silvi, B.3
-
20
-
-
36549100412
-
-
BECKE, A. D., and EDGECOMBE, K. E., 1990, J. chem. Phys., 92, 5397.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 5397
-
-
Becke, A.D.1
Edgecombe, K.E.2
-
21
-
-
0000746534
-
-
KROKIDIS, X., GONCALVES, V., SAVIN, A., and SILVI, B., 1998, J. phys. Chem. A, 102, 5065.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 5065
-
-
Krokidis, X.1
Goncalves, V.2
Savin, A.3
Silvi, B.4
-
26
-
-
85034490518
-
-
NOURY, S., KROKIDIS, X., FUSTER, F., and SILVI, B., to obtain the TopMoD package send email to: "Xenophon.Krokidis@lct.jussieu.fr"
-
NOURY, S., KROKIDIS, X., FUSTER, F., and SILVI, B., to obtain the TopMoD package send email to: "Xenophon.Krokidis@lct.jussieu.fr".
-
-
-
-
28
-
-
0345491105
-
-
LEE, C., YANG, W., and PARR, R. G., 1988, Phys. Rev. B., B37, 785.
-
(1988)
Phys. Rev. B.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
29
-
-
84962357545
-
-
Pittsburgh, PA: Gaussian, Inc.
-
FRISCH, M. J., TRUCKS, G. W., SCHLEGEL, H. B., GILL, P. M. W., JOHNSON, B. G., ROBB, M. A., CHEESEMAN, J. R., KEITH, T., PETERSSON, G. A., MONTGOMERY, J. A., RAGHAVACHARI, K., AL-LAHAM, M. A., ZAKRZEWSKI, V. G., ORTIZ, J. V., FORESMAN, J. B., CIOSLOWSKI, J., STEFANOV, B. B., NANAYAKKARA, A., CHALLACOMBE, M., PENG, C. Y., AYALA, P. Y., CHEN, W., WONG, M. W., ANDRES, J. L., REPLOGLE, E. S., GOMPERTS, R., MARTIN, R. L., FOX, D. J., BINKLEY, J. S., DEFREES, D. J., BAKER, J., STEWART, J. P., HEAD-GORDON, M., GONZALEZ, C., and POPLE, J. A., 1995, GAUSSIAN 94, Rev. B1 (Pittsburgh, PA: Gaussian, Inc.).
-
(1995)
GAUSSIAN 94, Rev. B1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
30
-
-
0002030032
-
-
edited by Dusan Hadzi (Chichester: Wiley), Chap. 2
-
VAN DUIJNEVELDT-VAN DE RIJDT, J. G. C. M., and VAN DUIJNEVELDT, F. B., 1997, Theoretical Treatments of Hydrogen Bonding, edited by Dusan Hadzi (Chichester: Wiley), Chap. 2.
-
(1997)
Theoretical Treatments of Hydrogen Bonding
-
-
Van Duijneveldt-Van De Rijdt, J.G.C.M.1
Van Duijneveldt, F.B.2
-
32
-
-
0009439043
-
A Geometrical Study of the Elementary Catastrophes
-
Berlin: Springer-Verlag
-
WOODCOCK, A. E. R., and POSTON, T., 1974, A Geometrical Study of the Elementary Catastrophes, Lecture Notes in Mathematics (Berlin: Springer-Verlag).
-
(1974)
Lecture Notes in Mathematics
-
-
Woodcock, A.E.R.1
Poston, T.2
-
35
-
-
0001526482
-
-
RATAJCZAK, H., and ORVILLE-THOMAS, W. J., 1973, J. chem. Phys., 58, 911.
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 911
-
-
Ratajczak, H.1
Orville-Thomas, W.J.2
-
36
-
-
0000296625
-
-
JUANǓS I TIMONEDA, J., and HYNES, J. T., 1991, J. phys. Chem., 95, 10431.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 10431
-
-
Juanǔs I Timoneda, J.1
Hynes, J.T.2
-
40
-
-
36449006287
-
-
BORGIS, D., TARJUS, G., and AZZOUZ, H., 1992, J. chem. Phys., 97, 1390.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1390
-
-
Borgis, D.1
Tarjus, G.2
Azzouz, H.3
-
41
-
-
36449003171
-
-
GADRE, S. R., KULKARNI, S. A., and SHRIVASTAVA, I. H., 1992, J. chem. Phys., 96, 5253.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 5253
-
-
Gadre, S.R.1
Kulkarni, S.A.2
Shrivastava, I.H.3
-
42
-
-
0027946619
-
-
SILVI, B., and SAVIN, A., 1994, Nature, 371, 683.
-
(1994)
Nature
, vol.371
, pp. 683
-
-
Silvi, B.1
Savin, A.2
-
43
-
-
0001124643
-
-
CIOSLOWSKI, J., and GUANGHUA, L., 1996, J. chem. Phys., 105, 8187.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8187
-
-
Cioslowski, J.1
Guanghua, L.2
-
45
-
-
0030166214
-
-
SAVIN, A., SILVI, B., and COLONNA, F., 1986, Can. J. Chem., 74, 1088.
-
(1986)
Can. J. Chem.
, vol.74
, pp. 1088
-
-
Savin, A.1
Silvi, B.2
Colonna, F.3
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