-
1
-
-
0001482146
-
-
W. M. Latimer and W. H. Rodebush, J. Am. Chem. Soc., 42, 1419(1920); see also M. L. Huggins, Angew. Chem. Int. Ed. Engl., 10, 147 (1971).
-
(1971)
J. Am. Chem. Soc.
, vol.42
, pp. 1419
-
-
Latimer, W.M.1
Rodebush, W.H.2
-
2
-
-
0003438540
-
-
Cornell University Press, Ithaca, N.Y.
-
See, for example, L. Pauling, “The Nature of the Chemical Bond”, Cornell University Press, Ithaca, N.Y., 1944.
-
(1944)
The Nature of the Chemical Bond
-
-
Pauling, L.1
-
4
-
-
0000279605
-
-
London
-
C. A. Coulson, Research (London), 10, 149 (1957).
-
(1957)
Research
, vol.10
, pp. 149
-
-
Coulson, C.A.1
-
5
-
-
0003722102
-
-
W. H. Freeman, San Francisco, Calif.
-
See G. Pimentel and A. McClellan, “The Hydrogen Bond”, W. H. Freeman, San Francisco, Calif., 1960.
-
(1960)
The Hydrogen Bond
-
-
See, G.1
Pimentel, A.2
-
8
-
-
0004274056
-
Molecular Complexes: A Lecture and Reprint Volume
-
See, for example, in Wiley-lnterscience, New York, N.Y.
-
See, for example, R. S. Mulliken and W. B. Person in “Molecular Complexes: A Lecture and Reprint Volume”, Wiley-lnterscience, New York, N.Y., 1969.
-
(1969)
-
-
Mulliken, R.S.1
Person, W.B.2
-
17
-
-
0008368150
-
-
P. Kollman, J. McKelvey, A. Johansson, and S. Rothenberg, J. Am. Chem. Soc., 97,955(1975).
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 955
-
-
Kollman, P.1
McKelvey, J.2
Johansson, A.3
Rothenberg, S.4
-
18
-
-
84912955541
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys., 54, 7241 (1971).
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 7241
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
19
-
-
85012391579
-
-
W. J. Hehre, W. A. Lathan, R. Ditchfield, M. D. Newton, and J. A. Popie, QCPE Program No. 236.
-
QCPE Program No.
, pp. 236
-
-
Hehre, W.J.1
Lathan, W.A.2
Ditchfield, R.3
Newton, M.D.4
Popie, J.A.5
-
20
-
-
84911622873
-
-
S. Rothenberg, P. Kollman, E. F. Hayes, M. E. Schwartz, and L. C. Allen, Int. J. Quantum Chem. Symp., 3, 715 (1970).
-
(1970)
Int. J. Quantum Chem. Symp.
, vol.3
, pp. 715
-
-
Rothenberg, S.1
Kollman, P.2
Hayes, E.F.3
Schwartz, M.E.4
Allen, L.C.5
-
22
-
-
0003655953
-
Electronic Structure Theory of Atoms and Molecules
-
Addison-Wesley, Reading, Mass.,for a review.
-
See H. F. Schaefer, “Electronic Structure Theory of Atoms and Molecules”, Addison-Wesley, Reading, Mass., 1972, for a review.
-
(1972)
-
-
Schaefer, H.1
-
23
-
-
0001434529
-
-
S. J. Harris, S. E. Novick, W. Klemperer, and W. Falconer, J. Chem. Phys., 61, 193(1974).
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 193
-
-
Harris, S.J.1
Novick, S.E.2
Klemperer, W.3
Falconer, W.4
-
24
-
-
36849109064
-
-
S. E. Novick, P. Davies, S. J. Harris, and W. Klemperer, J. Chem. Phys., 59, 2273 (1974).
-
(1974)
J. Chem. Phys.
, vol.59
, pp. 2273
-
-
Novick, S.E.1
Davies, P.2
Harris, S.J.3
Klemperer, W.4
-
25
-
-
0000522464
-
-
S. J. Harris, K. C. Janda, S. E. Novick, and W. Klemperer, J. Chem. Phys., 63, 881 (1975).
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 881
-
-
Harris, S.J.1
Janda, K.C.2
Novick, S.E.3
Klemperer, W.4
-
26
-
-
0004167765
-
-
M. Losonczy, J. W. Moskowitz, and F. Stillinger, J. Chem. Phys., 61, 2438 (1974).
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 2438
-
-
Losonczy, M.1
Moskowitz, J.W.2
Stillinger, F.3
-
27
-
-
0004163026
-
Theory of Intermolecular Forces
-
See 2nd ed, Pergamon Press, Oxford, for an analysis of rare gas-rare gas interactions.
-
See H. Margenau and N. R. Kestner, “Theory of Intermolecular Forces”, 2nd ed, Pergamon Press, Oxford, 1971, for an analysis of rare gas-rare gas interactions.
-
(1971)
-
-
Margenau, H.1
Kestner, N.R.2
-
29
-
-
0004033098
-
Crystal Structures
-
Interscience, New York, N.Y.
-
R. W. G. Wyckoff, “Crystal Structures”, Interscience, New York, N.Y., 1963.
-
(1963)
-
-
Wyckoff, R.W.G.1
-
30
-
-
0003776315
-
-
S. J. Harris, S. E. Novick, J. S. Winn, and W. Klemperer, J. Chem. Phys., 61,3866(1974).
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 3866
-
-
Harris, S.J.1
Novick, S.E.2
Winn, J.S.3
Klemperer, W.4
-
31
-
-
33847089417
-
-
These authors find that dispersion corrections decrease θ of F2-F2 to ~10°
-
H. Umeyama, K. Morokuma, and S. Yamabe, J. Am. Chem. Soc., 99, 330 (1977). These authors find that dispersion corrections decrease θ of F2-F2 to ~10°.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 330
-
-
Umeyama, H.1
Morokuma, K.2
Yamabe, S.3
-
33
-
-
0000755831
-
-
See, for example
-
See, for example, J. P. Collman, R. G. Gagne, C. A. Reed, W. T. Robinson, and G. A. Rodley, Proc. Natl. Acad. Sci. U.S.A., 71, 1326 (1974).
-
(1974)
Natl. Acad. Sci. U.S.A.
, vol.71
, pp. 1326
-
-
Collman, J.P.1
Gagne, R.G.2
Reed, C.A.3
Robinson, W.T.4
Rodley, G.A.5
-
34
-
-
0004248772
-
Inorganic Chemistry
-
Wiley-lnterscience, New York, N.Y
-
F. A. Cotton and G. Wilkinson, “Inorganic Chemistry”, Wiley-lnterscience, New York, N.Y., 1972.
-
(1972)
-
-
Cotton, F.A.1
Wilkinson, G.2
-
35
-
-
85012367483
-
-
see also G. Ewing, Acc. Chem. Res., 8, 185 (1975).
-
C. A. Long and G. E. Ewing, J. Chem. Phys., 58, 4854 (1973); see also G. Ewing, Acc. Chem. Res., 8, 185 (1975).
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 4854
-
-
Long, C.A.1
Ewing, G.E.2
-
36
-
-
36749121104
-
-
K. C. Janda, J. C. Hemminger, J. W. Winn, S. E. Novick, S. J. Harris, and W. Klemperer, J. Chem. Phys., 63, 1419 (1975).
-
(1975)
J. Chem. Phys.
, vol.63
, pp. 1419
-
-
Janda, K.C.1
Hemminger, J.C.2
Winn, J.W.3
Novick, S.E.4
Harris, S.J.5
Klemperer, W.6
-
38
-
-
0010848445
-
-
R. J. W. LeFevre, D. S. N. Murthy, and P. J. Stiles, Aust. J. Chem., 22,1421 (1969).
-
(1969)
Aust. J. Chem.
, vol.22
, pp. 1421
-
-
LeFevre, R.J.W.1
Murthy, D.S.N.2
Stiles, P.J.3
-
40
-
-
0001252538
-
-
D. Hankins, J. Moskowitz, and F. Stillinger, J. Chem. Phys., 53, 4544 (1970).
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 4544
-
-
Hankins, D.1
Moskowitz, J.2
Stillinger, F.3
-
42
-
-
85012357047
-
-
P. Kollman, J. F. Liebman, and L. C. Allen, J. Am. Chem. Soc., 92, 1143 (1970).
-
(1970)
J. Am. Chem. Soc.
, vol.92
, pp. 1143
-
-
Kollman, P.1
Liebman, J.F.2
Allen, L.C.3
-
43
-
-
0002408734
-
-
B. Jonsson, G. Karlstrom, and H. Wennerstrom, Chem. Phys. Lett., 30, 58 (1975).
-
(1975)
Chem. Phys. Lett.
, vol.30
, pp. 58
-
-
Jonsson, B.1
Karlstrom, G.2
Wennerstrom, H.3
-
44
-
-
85012390191
-
Klemperer, talk presented at the Symposium on Molecular Spectroscopy, Columbus
-
June
-
W. Klemperer, talk presented at the Symposium on Molecular Spectroscopy, Columbus, Ohio, June 1976.
-
(1976)
Ohio
-
-
-
47
-
-
33947091029
-
Assuming C2v symmetry as found by P. A. Kollman and I. D. Kuntz, J. Am. Chem. Soc
-
Assuming C2v symmetry as found by P. A. Kollman and I. D. Kuntz, J. Am. Chem. Soc., 94, 9236 (1972).
-
(1972)
, vol.94
, pp. 9236
-
-
-
54
-
-
0008773658
-
-
W. A. Lathan, W. J. Hehre, L. Curtiss, and J. A. Pople, J. Am. Chem. Soc., 93, 6377(1971).
-
(1971)
J. Am. Chem. Soc.
, vol.93
, pp. 6377
-
-
Lathan, W.A.1
Hehre, W.J.2
Curtiss, L.3
Pople, J.A.4
-
61
-
-
85021540130
-
Electronic Spectra of Polyatomic Molecules
-
G. Herzberg, “Electronic Spectra of Polyatomic Molecules”, D. van Nostrand, Princeton, N.J., 1966, p 426.
-
(1966)
D. van Nostrand, Princeton, N.J
, pp. 426
-
-
Herzberg, G.1
-
63
-
-
0000015755
-
-
S. Dietrich, E. C. Jorgensen, P. A. Kollman, and S. Rothenberg, J. Am. Chem. Soc., 98, 8310 (1976).
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 8310
-
-
Dietrich, S.1
Jorgensen, E.C.2
Kollman, P.A.3
Rothenberg, S.4
-
64
-
-
0000669847
-
-
See, however, ref 48 and these authors have noted that the use of experimental geometries for monomers tends to lead to an overestimate of the dimerization energy. This effect is expected to be more severe for a minimal basis than the double ζ basis used here, but we do not expect that it will have a substantial effect for comparison of a series of similar complexes.
-
See, however, ref 48 and J. Del Bene, J. Chem. Phys., 62, 1961 (1975); these authors have noted that the use of experimental geometries for monomers tends to lead to an overestimate of the dimerization energy. This effect is expected to be more severe for a minimal basis than the double ζ basis used here, but we do not expect that it will have a substantial effect for comparison of a series of similar complexes.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 1961
-
-
Del Bene, J.1
-
65
-
-
17644363991
-
-
R. Bonaccorsi, A. Pullman, E. Scrocco, and J. Tomasi, Chem. Phys. Lett., 12, 622 (1972).
-
(1972)
Chem. Phys. Lett.
, vol.12
, pp. 622
-
-
Bonaccorsi, R.1
Pullman, A.2
Scrocco, E.3
Tomasi, J.4
-
66
-
-
0038410759
-
-
See, for example
-
See, for example, R. J. Bartlett and E. J. Brändas, J. Chem. Phys., 56,5467 (1972).
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 5467
-
-
Bartlett, R.J.1
Brändas, E.J.2
-
68
-
-
0008025420
-
-
O. Matsuoka, E. dementi, and M. Yoshimine, J. Chem. Phys., 64, 1351 (1976).
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 1351
-
-
Matsuoka, O.1
dementi, E.2
Yoshimine, M.3
|