-
5
-
-
0003722102
-
-
Freeman, San Fransisco
-
G. C. Pimentai and A. L. McClellan, The Hydrogen Bond (Freeman, San Fransisco, 1960); S. A. McDonald, G. L. Johnson, B. W. Keeler, and L. Andrews, J. Am. Chem. Soc. 102, 3892 (1980); A. J. Barnes, J. Mol. Struct. 60, 343 (1980).
-
(1960)
The Hydrogen Bond
-
-
Pimentai, G.C.1
McClellan, A.L.2
-
6
-
-
0001245408
-
-
G. C. Pimentai and A. L. McClellan, The Hydrogen Bond (Freeman, San Fransisco, 1960); S. A. McDonald, G. L. Johnson, B. W. Keeler, and L. Andrews, J. Am. Chem. Soc. 102, 3892 (1980); A. J. Barnes, J. Mol. Struct. 60, 343 (1980).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 3892
-
-
McDonald, S.A.1
Johnson, G.L.2
Keeler, B.W.3
Andrews, L.4
-
7
-
-
0003148285
-
-
G. C. Pimentai and A. L. McClellan, The Hydrogen Bond (Freeman, San Fransisco, 1960); S. A. McDonald, G. L. Johnson, B. W. Keeler, and L. Andrews, J. Am. Chem. Soc. 102, 3892 (1980); A. J. Barnes, J. Mol. Struct. 60, 343 (1980).
-
(1980)
J. Mol. Struct.
, vol.60
, pp. 343
-
-
Barnes, A.J.1
-
8
-
-
0041684229
-
-
P. Hobza and R. Zahradnik, Chem. Rev. 88, 871 (1988); C. C. Pye, R. A. Poirier, D. Yu, and P. R. Surjan, J. Mol. Struct. (Theochem) 307, 239 (1994); P. L. Moore Plummer, ibid. 307, 119 (1994).
-
(1988)
Chem. Rev.
, vol.88
, pp. 871
-
-
Hobza, P.1
Zahradnik, R.2
-
9
-
-
0011965102
-
-
P. Hobza and R. Zahradnik, Chem. Rev. 88, 871 (1988); C. C. Pye, R. A. Poirier, D. Yu, and P. R. Surjan, J. Mol. Struct. (Theochem) 307, 239 (1994); P. L. Moore Plummer, ibid. 307, 119 (1994).
-
(1994)
J. Mol. Struct. (Theochem)
, vol.307
, pp. 239
-
-
Pye, C.C.1
Poirier, R.A.2
Yu, D.3
Surjan, P.R.4
-
10
-
-
33746282552
-
-
P. Hobza and R. Zahradnik, Chem. Rev. 88, 871 (1988); C. C. Pye, R. A. Poirier, D. Yu, and P. R. Surjan, J. Mol. Struct. (Theochem) 307, 239 (1994); P. L. Moore Plummer, ibid. 307, 119 (1994).
-
(1994)
J. Mol. Struct. (Theochem)
, vol.307
, pp. 119
-
-
Moore Plummer, P.L.1
-
11
-
-
0009989112
-
-
M. Splotti, L. Bencivenni, and F. Ramondo, J. Mol. Struct. (Theochem) 303, 185 (1994) and references cited therein; A. K. Chandra and S. Pal, Chem. Phys. Lett. 241, 399 (1995); A. K. Chandra, S. Pal, A. C. Limaye, and S. R. Gadre, Chem. Phys. Lett. 247, 95 (1995).
-
(1994)
J. Mol. Struct. (Theochem)
, vol.303
, pp. 185
-
-
Splotti, M.1
Bencivenni, L.2
Ramondo, F.3
-
12
-
-
0010554068
-
-
M. Splotti, L. Bencivenni, and F. Ramondo, J. Mol. Struct. (Theochem) 303, 185 (1994) and references cited therein; A. K. Chandra and S. Pal, Chem. Phys. Lett. 241, 399 (1995); A. K. Chandra, S. Pal, A. C. Limaye, and S. R. Gadre, Chem. Phys. Lett. 247, 95 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.241
, pp. 399
-
-
Chandra, A.K.1
Pal, S.2
-
13
-
-
0003022356
-
-
M. Splotti, L. Bencivenni, and F. Ramondo, J. Mol. Struct. (Theochem) 303, 185 (1994) and references cited therein; A. K. Chandra and S. Pal, Chem. Phys. Lett. 241, 399 (1995); A. K. Chandra, S. Pal, A. C. Limaye, and S. R. Gadre, Chem. Phys. Lett. 247, 95 (1995).
-
(1995)
Chem. Phys. Lett.
, vol.247
, pp. 95
-
-
Chandra, A.K.1
Pal, S.2
Limaye, A.C.3
Gadre, S.R.4
-
14
-
-
0000369253
-
-
Z. Latajka and S. Scheiner, Chem. Phys. 122, 413 (1988); K. S. Kim, B. J. Mhin, U. S. Choi and K. Lee, J. Chem. Phys. 97, 6649 (1992); G. B. Bacskay, Mol. Phys. 77, 61 (1992); S. Saebo, W. Tong, and P. Pulay, J. Chem. Phys. 98, 2170 (1993); J. A. Dobado and J. M. Molina, J. Phys. Chem. 97, 11415 (1993).
-
(1988)
Chem. Phys.
, vol.122
, pp. 413
-
-
Latajka, Z.1
Scheiner, S.2
-
15
-
-
0347638362
-
-
Z. Latajka and S. Scheiner, Chem. Phys. 122, 413 (1988); K. S. Kim, B. J. Mhin, U. S. Choi and K. Lee, J. Chem. Phys. 97, 6649 (1992); G. B. Bacskay, Mol. Phys. 77, 61 (1992); S. Saebo, W. Tong, and P. Pulay, J. Chem. Phys. 98, 2170 (1993); J. A. Dobado and J. M. Molina, J. Phys. Chem. 97, 11415 (1993).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 6649
-
-
Kim, K.S.1
Mhin, B.J.2
Choi, U.S.3
Lee, K.4
-
16
-
-
84946456214
-
-
Z. Latajka and S. Scheiner, Chem. Phys. 122, 413 (1988); K. S. Kim, B. J. Mhin, U. S. Choi and K. Lee, J. Chem. Phys. 97, 6649 (1992); G. B. Bacskay, Mol. Phys. 77, 61 (1992); S. Saebo, W. Tong, and P. Pulay, J. Chem. Phys. 98, 2170 (1993); J. A. Dobado and J. M. Molina, J. Phys. Chem. 97, 11415 (1993).
-
(1992)
Mol. Phys.
, vol.77
, pp. 61
-
-
Bacskay, G.B.1
-
17
-
-
36449000402
-
-
Z. Latajka and S. Scheiner, Chem. Phys. 122, 413 (1988); K. S. Kim, B. J. Mhin, U. S. Choi and K. Lee, J. Chem. Phys. 97, 6649 (1992); G. B. Bacskay, Mol. Phys. 77, 61 (1992); S. Saebo, W. Tong, and P. Pulay, J. Chem. Phys. 98, 2170 (1993); J. A. Dobado and J. M. Molina, J. Phys. Chem. 97, 11415 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 2170
-
-
Saebo, S.1
Tong, W.2
Pulay, P.3
-
18
-
-
0000369253
-
-
Z. Latajka and S. Scheiner, Chem. Phys. 122, 413 (1988); K. S. Kim, B. J. Mhin, U. S. Choi and K. Lee, J. Chem. Phys. 97, 6649 (1992); G. B. Bacskay, Mol. Phys. 77, 61 (1992); S. Saebo, W. Tong, and P. Pulay, J. Chem. Phys. 98, 2170 (1993); J. A. Dobado and J. M. Molina, J. Phys. Chem. 97, 11415 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 11415
-
-
Dobado, J.A.1
Molina, J.M.2
-
24
-
-
0038767410
-
-
P. A. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc. 94, 8016 (1972); J. Rychlewski and J. R. Sabin, Chem. Phys. Lett. 37, 180 (1976); M. M. Szczesniak and H. Ratajczak, ibid. 74, 243 (1980); G. V. Kulkarni and C. N. R. Rao, J. Mol. Struct. 100, 531 (1983); Z. Latajka and S. Scheiner, J. Chem. Phys. 81, 4014 (1984).
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 8016
-
-
Kollman, P.A.1
Bender, C.F.2
Rothenberg, S.3
-
25
-
-
5544252758
-
-
P. A. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc. 94, 8016 (1972); J. Rychlewski and J. R. Sabin, Chem. Phys. Lett. 37, 180 (1976); M. M. Szczesniak and H. Ratajczak, ibid. 74, 243 (1980); G. V. Kulkarni and C. N. R. Rao, J. Mol. Struct. 100, 531 (1983); Z. Latajka and S. Scheiner, J. Chem. Phys. 81, 4014 (1984).
-
(1976)
Chem. Phys. Lett.
, vol.37
, pp. 180
-
-
Rychlewski, J.1
Sabin, J.R.2
-
26
-
-
5544224636
-
-
P. A. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc. 94, 8016 (1972); J. Rychlewski and J. R. Sabin, Chem. Phys. Lett. 37, 180 (1976); M. M. Szczesniak and H. Ratajczak, ibid. 74, 243 (1980); G. V. Kulkarni and C. N. R. Rao, J. Mol. Struct. 100, 531 (1983); Z. Latajka and S. Scheiner, J. Chem. Phys. 81, 4014 (1984).
-
(1980)
Chem. Phys. Lett.
, vol.74
, pp. 243
-
-
Szczesniak, M.M.1
Ratajczak, H.2
-
27
-
-
0001116720
-
-
P. A. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc. 94, 8016 (1972); J. Rychlewski and J. R. Sabin, Chem. Phys. Lett. 37, 180 (1976); M. M. Szczesniak and H. Ratajczak, ibid. 74, 243 (1980); G. V. Kulkarni and C. N. R. Rao, J. Mol. Struct. 100, 531 (1983); Z. Latajka and S. Scheiner, J. Chem. Phys. 81, 4014 (1984).
-
(1983)
J. Mol. Struct.
, vol.100
, pp. 531
-
-
Kulkarni, G.V.1
Rao, C.N.R.2
-
28
-
-
36549096089
-
-
P. A. Kollman, C. F. Bender, and S. Rothenberg, J. Am. Chem. Soc. 94, 8016 (1972); J. Rychlewski and J. R. Sabin, Chem. Phys. Lett. 37, 180 (1976); M. M. Szczesniak and H. Ratajczak, ibid. 74, 243 (1980); G. V. Kulkarni and C. N. R. Rao, J. Mol. Struct. 100, 531 (1983); Z. Latajka and S. Scheiner, J. Chem. Phys. 81, 4014 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 4014
-
-
Latajka, Z.1
Scheiner, S.2
-
31
-
-
5544226506
-
-
G. Karlstrom, Mol. Phys. 41, 941 (1980); Y. Dimitrova and S. D. Peyerimhoff, J. Phys. Chem. 97, 12731 (1993); Chem. Phys. Lett. 384, 227 (1994).
-
(1980)
Mol. Phys.
, vol.41
, pp. 941
-
-
Karlstrom, G.1
-
32
-
-
0000854814
-
-
G. Karlstrom, Mol. Phys. 41, 941 (1980); Y. Dimitrova and S. D. Peyerimhoff, J. Phys. Chem. 97, 12731 (1993); Chem. Phys. Lett. 384, 227 (1994).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 12731
-
-
Dimitrova, Y.1
Peyerimhoff, S.D.2
-
33
-
-
5544226506
-
-
G. Karlstrom, Mol. Phys. 41, 941 (1980); Y. Dimitrova and S. D. Peyerimhoff, J. Phys. Chem. 97, 12731 (1993); Chem. Phys. Lett. 384, 227 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.384
, pp. 227
-
-
-
35
-
-
84981685264
-
-
P. Mohandas, M. C. Shivaglal, J. Chandrasekhar, and Surjit Singh, Int. J. Quant. Chem. 55, 477 (1995).
-
(1995)
Int. J. Quant. Chem.
, vol.55
, pp. 477
-
-
Mohandas, P.1
Shivaglal, M.C.2
Chandrasekhar, J.3
Singh, S.4
-
36
-
-
0000564787
-
-
P. G. Sennikov, J. Phys. Chem. 98, 4973 (1994), and references cited therein.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 4973
-
-
Sennikov, P.G.1
-
39
-
-
33845555195
-
-
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre, J. Am. Chem. Soc. 104, 2797 (1982); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, J. Chem. Phys. 77, 3654 (1982); T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1982)
J. Am. Chem. Soc.
, vol.104
, pp. 2797
-
-
Gordon, M.S.1
Binkley, J.S.2
Pople, J.A.3
Pietro, W.J.4
Hehre, W.J.5
-
40
-
-
33645949559
-
-
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre, J. Am. Chem. Soc. 104, 2797 (1982); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, J. Chem. Phys. 77, 3654 (1982); T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Pietro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
41
-
-
84986468715
-
-
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre, J. Am. Chem. Soc. 104, 2797 (1982); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, J. Chem. Phys. 77, 3654 (1982); T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
42
-
-
36549091139
-
-
M. S. Gordon, J. S. Binkley, J. A. Pople, W. J. Pietro, and W. J. Hehre, J. Am. Chem. Soc. 104, 2797 (1982); M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, and J. A. Pople, J. Chem. Phys. 77, 3654 (1982); T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comp. Chem. 4, 294 (1983); M. J. Frisch, J. A. Pople, and J. S. Binkley, J. Chem. Phys. 80, 3265 (1984).
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
44
-
-
0000100670
-
-
P. I. Nagy, D. A. Smith, G. Alagona, and C. J. Ghio, J. Phys. Chem. 98, 486 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 486
-
-
Nagy, P.I.1
Smith, D.A.2
Alagona, G.3
Ghio, C.J.4
-
45
-
-
33744614883
-
-
NBO, Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold; J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88, 889 (1988).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 7211
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
Foster, J.P.5
Weinhold, F.6
-
46
-
-
0001053525
-
-
NBO, Version 3.1, E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold; J. P. Foster and F. Weinhold, J. Am. Chem. Soc. 102, 7211 (1980); A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev. 88, 889 (1988).
-
(1988)
Chem. Rev.
, vol.88
, pp. 889
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
47
-
-
5544255388
-
-
HONDO, Version 7.0, M. Dupuis, J. D. Watts, H. O. Villar, and G. J. B. Hurst, Quantum Chemistry Program Exchange, QCPE Program No. 544 (1987).
-
(1987)
Quantum Chemistry Program Exchange, QCPE Program No. 544
-
-
Dupuis, M.1
Watts, J.D.2
Villar, H.O.3
Hurst, G.J.B.4
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