-
4
-
-
36849126204
-
-
B. J. Alber, and T. E. Winwright, J. Chem. Phys. 31, 459 (1959); N. Metropolis, and S. M. Ulan, J. Amer. Stat. Assoc. 44, 335 (1949).
-
(1959)
J. Chem. Phys.
, vol.31
, pp. 459
-
-
Alber, B.J.1
Winwright, T.E.2
-
5
-
-
33745955275
-
-
B. J. Alber, and T. E. Winwright, J. Chem. Phys. 31, 459 (1959); N. Metropolis, and S. M. Ulan, J. Amer. Stat. Assoc. 44, 335 (1949).
-
(1949)
J. Amer. Stat. Assoc.
, vol.44
, pp. 335
-
-
Metropolis, N.1
Ulan, S.M.2
-
6
-
-
0038391194
-
Modeling the Hydrogen bond
-
D. A. Smith, ed.
-
P. G. Jensen, P. N. Day, M. S. Gordon, H. Basch, D. Cohen, D. R. Garmer, M. Kraus, and W. J. Stevens, Modeling the Hydrogen Bond, D. A. Smith, ed. (Amer. Chem. Soc. ACS Symp. Ser., 1994).
-
(1994)
Amer. Chem. Soc. Acs Symp. Ser.
-
-
Jensen, P.G.1
Day, P.N.2
Gordon, M.S.3
Basch, H.4
Cohen, D.5
Garmer, D.R.6
Kraus, M.7
Stevens, W.J.8
-
7
-
-
84962358194
-
Modeling the Hydrogen bond
-
D. A. Smith, ed.
-
N. Gresh, M. Leboeuf, and D. Salahub, Modeling the Hydrogen Bond, D. A. Smith, ed., (Amer. Chem. Soc. ACS Symp. Ser., 1994).
-
(1994)
Amer. Chem. Soc. ACS Symp. Ser.
-
-
Gresh, N.1
Leboeuf, M.2
Salahub, D.3
-
8
-
-
26444507318
-
-
J. C. Contador, M. L. Sánchez, M. A. Aguilar, and F. J. Olivares del Valle, J. Chem. Phys. 104, 5539 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5539
-
-
Contador, J.C.1
Sánchez, M.L.2
Aguilar, M.A.3
Olivares Del Valle, F.J.4
-
10
-
-
0345090030
-
-
H. Tanaka, H. Touhara, K. Nakanishi, and N. Watanabe, J. Chem. Phys. 80, 5170 (1984); R. A. Kuharski, and P. J. Rossky, J. Amer. Chem. Soc. 106, 5786 (1984); J. Sai, M. Gerstein, and M. Levitt, J. Chem. Phys. 104, 9417 (1996).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 5170
-
-
Tanaka, H.1
Touhara, H.2
Nakanishi, K.3
Watanabe, N.4
-
11
-
-
0021754413
-
-
H. Tanaka, H. Touhara, K. Nakanishi, and N. Watanabe, J. Chem. Phys. 80, 5170 (1984); R. A. Kuharski, and P. J. Rossky, J. Amer. Chem. Soc. 106, 5786 (1984); J. Sai, M. Gerstein, and M. Levitt, J. Chem. Phys. 104, 9417 (1996).
-
(1984)
J. Amer. Chem. Soc.
, vol.106
, pp. 5786
-
-
Kuharski, R.A.1
Rossky, P.J.2
-
12
-
-
0039232743
-
-
H. Tanaka, H. Touhara, K. Nakanishi, and N. Watanabe, J. Chem. Phys. 80, 5170 (1984); R. A. Kuharski, and P. J. Rossky, J. Amer. Chem. Soc. 106, 5786 (1984); J. Sai, M. Gerstein, and M. Levitt, J. Chem. Phys. 104, 9417 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 9417
-
-
Sai, J.1
Gerstein, M.2
Levitt, M.3
-
13
-
-
9944232242
-
-
S. Cabani, P. Gianni, V. Mollica, and L. Lepori, J. Solution Chem. 10, 563 (1981).
-
(1981)
J. Solution Chem.
, vol.10
, pp. 563
-
-
Cabani, S.1
Gianni, P.2
Mollica, V.3
Lepori, L.4
-
15
-
-
0017777733
-
-
E. Clementi, F. Cavallone, and R. Scordamaglia, J. Amer. Chem. Soc. 99, 5531 (1977); M. Ragazzi, D. R. Ferro, and E. Clementi, J. Chem. Phys. 70, 1040 (1979).
-
(1977)
J. Amer. Chem. Soc.
, vol.99
, pp. 5531
-
-
Clementi, E.1
Cavallone, F.2
Scordamaglia, R.3
-
16
-
-
36749106645
-
-
E. Clementi, F. Cavallone, and R. Scordamaglia, J. Amer. Chem. Soc. 99, 5531 (1977); M. Ragazzi, D. R. Ferro, and E. Clementi, J. Chem. Phys. 70, 1040 (1979).
-
(1979)
J. Chem. Phys.
, vol.70
, pp. 1040
-
-
Ragazzi, M.1
Ferro, D.R.2
Clementi, E.3
-
17
-
-
0017777723
-
-
G. Bolis, and E. Clementi, J. Amer. Chem. Soc. 99, 5550 (1977); S. L. Price and A. J. Stone, J. Chem. Soc. Faraday Trans. 88, 1757 (1992).
-
(1977)
J. Amer. Chem. Soc.
, vol.99
, pp. 5550
-
-
Bolis, G.1
Clementi, E.2
-
19
-
-
0003395029
-
-
Group IV, Mischungs-Lösungswärmen, ed. Springer-Verlag, Berlin
-
Landolt-Bornstein, Numerical Data and Functional Relationship in Science and Technology. Heats of Mixing and Solution, Group IV, Vol. 2, Mischungs-Lösungswärmen, ed. (Springer-Verlag, Berlin, 1976).
-
(1976)
Numerical Data and Functional Relationship in Science and Technology. Heats of Mixing and Solution
, vol.2
-
-
Landolt-Bornstein1
-
23
-
-
0030589425
-
-
S. Tolosa and J. A. Sansón, Chem. Phys. 213, 203 (1996); Chem. Phys. 251, 223 (1997).
-
(1997)
Chem. Phys.
, vol.251
, pp. 223
-
-
-
24
-
-
84962358206
-
-
Doctoral Thesis, Universidad de Extremadura, Spain
-
J. A. Sanson, Doctoral Thesis, Universidad de Extremadura, Spain, 1999.
-
(1999)
-
-
Sanson, J.A.1
-
25
-
-
84962373368
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971); W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
26
-
-
0347170005
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys. 54, 724 (1971); W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
27
-
-
84884501597
-
-
Gaussian Inc., Pittsburgh, Pennsylvania
-
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. DeFrees, J. Baker, J. J. P. Stewart, and J. A. Pople, Gaussian-92 Revision D.3 (Gaussian Inc., Pittsburgh, Pennsylvania, 1992).
-
(1992)
Gaussian-92 Revision D.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Johnson, B.G.6
Schlegel, H.B.7
Robb, M.A.8
Replogle, E.S.9
Gomperts, R.10
Andres, J.L.11
Raghavachari, K.12
Binkley, J.S.13
Gonzalez, C.14
Martin, R.L.15
D J, F.16
Defrees, D.J.17
Baker, J.18
Stewart, J.J.P.19
Pople, J.A.20
more..
-
28
-
-
0001166801
-
-
J. A. Sordo, M. Probst, G. Corongiu, S. Chim, and E. Clementi, J. Amer. Chem. Soc. 109, 1702 (1987); S. Kin, M. S. Jhom, and H. A. Scheraga, J. Phys. Chem. 92, 7216 (1988).
-
(1987)
J. Amer. Chem. Soc.
, vol.109
, pp. 1702
-
-
Sordo, J.A.1
Probst, M.2
Corongiu, G.3
Chim, S.4
Clementi, E.5
-
29
-
-
0001166801
-
-
J. A. Sordo, M. Probst, G. Corongiu, S. Chim, and E. Clementi, J. Amer. Chem. Soc. 109, 1702 (1987); S. Kin, M. S. Jhom, and H. A. Scheraga, J. Phys. Chem. 92, 7216 (1988).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 7216
-
-
Kin, S.1
Jhom, M.S.2
Scheraga, H.A.3
-
31
-
-
0003576136
-
-
Elementary Methods Wiley, New York
-
J. M. Haile, Molecular Dynamics Simulation. Elementary Methods (Wiley, New York, 1992); M. P. Allen, D. J. Tiddesley, Computer Simulations of Liquids (Clarendon, Oxford, 1987).
-
(1992)
Molecular Dynamics Simulation
-
-
Haile, J.M.1
-
32
-
-
0003451443
-
-
Clarendon, Oxford
-
J. M. Haile, Molecular Dynamics Simulation. Elementary Methods (Wiley, New York, 1992); M. P. Allen, D. J. Tiddesley, Computer Simulations of Liquids (Clarendon, Oxford, 1987).
-
(1987)
Computer Simulations of Liquids
-
-
Allen, M.P.1
Tiddesley, D.J.2
-
34
-
-
84962422763
-
-
IBM Corporation. Center for Scientific, Engineering Computation. Department 48B/428, Kingston, New York, 12401
-
G. Corongiu, IBM Corporation. Center for Scientific, Engineering Computation. Department 48B/428, Kingston, New York, 12401.
-
-
-
Corongiu, G.1
-
38
-
-
0017851927
-
-
F. J. Harris, Proc. IEEE. 66, 51 (1978); P. H. Berens and K. R. Wilson, J. Chem. Phys. 74, 4872 (1981).
-
(1978)
Proc. IEEE
, vol.66
, pp. 51
-
-
Harris, F.J.1
-
42
-
-
33847085773
-
-
D. H. Wertz, J. Amer. Chem. Soc. 102, 5316 (1980); A. Ben Nain and Y. Marcus, J. Chem. Phys. 81, 2016 (1984).
-
(1980)
J. Amer. Chem. Soc.
, vol.102
, pp. 5316
-
-
Wertz, D.H.1
-
43
-
-
33645903407
-
-
D. H. Wertz, J. Amer. Chem. Soc. 102, 5316 (1980); A. Ben Nain and Y. Marcus, J. Chem. Phys. 81, 2016 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 2016
-
-
Nain, A.B.1
Marcus, Y.2
-
46
-
-
0242339189
-
-
F. Franks, ed., Plenum, New York
-
H. G. Hertz, Water-A Comprehensive Treatise, Vol. 3, F. Franks, ed., (Plenum, New York, 1993).
-
(1993)
Water-A Comprehensive Treatise
, vol.3
-
-
Hertz, H.G.1
|