-
1
-
-
0004200260
-
-
Wadsworth, Monterey
-
Steric phenomena are discussed in relation to reactivity and conformational analysis in practically all organic chemistry textbooks. As representative examples, see J. McMurry, Organic Chemistry, 3rd ed. (Wadsworth, Monterey, 1992), pp. 118-132; J. March, Advanced Organic Chemistry (Wiley, New York, 1992), pp. 511-517, 749-754; A. Streitwieser, H. H. Clayton, and E. M. Kosower, Introduction to Organic Chemistry, 4th ed. (MacMillan, New York, 1992), pp. 179, 180.
-
(1992)
Organic Chemistry, 3rd Ed.
, pp. 118-132
-
-
McMurry, J.1
-
2
-
-
85033185624
-
-
Wiley, New York
-
Steric phenomena are discussed in relation to reactivity and conformational analysis in practically all organic chemistry textbooks. As representative examples, see J. McMurry, Organic Chemistry, 3rd ed. (Wadsworth, Monterey, 1992), pp. 118-132; J. March, Advanced Organic Chemistry (Wiley, New York, 1992), pp. 511-517, 749-754; A. Streitwieser, H. H. Clayton, and E. M. Kosower, Introduction to Organic Chemistry, 4th ed. (MacMillan, New York, 1992), pp. 179, 180.
-
Advanced Organic Chemistry
, vol.1992
, pp. 511-517
-
-
March, J.1
-
3
-
-
0004272649
-
-
MacMillan, New York
-
Steric phenomena are discussed in relation to reactivity and conformational analysis in practically all organic chemistry textbooks. As representative examples, see J. McMurry, Organic Chemistry, 3rd ed. (Wadsworth, Monterey, 1992), pp. 118-132; J. March, Advanced Organic Chemistry (Wiley, New York, 1992), pp. 511-517, 749-754; A. Streitwieser, H. H. Clayton, and E. M. Kosower, Introduction to Organic Chemistry, 4th ed. (MacMillan, New York, 1992), pp. 179, 180.
-
(1992)
Introduction to Organic Chemistry, 4th Ed.
, pp. 179
-
-
Streitwieser, A.1
Clayton, H.H.2
Kosower, E.M.3
-
4
-
-
85033159380
-
-
note
-
For example, more than 1200 papers listed in the 1993 Science Citation Index attributed observed phenomena to "steric" factors.
-
-
-
-
7
-
-
0003461877
-
-
World Scientific, Singapore, especially Chap. 2 and section 3.4.2
-
J.-M. Andre, J. Delhalle, and J.-L. Bredas, Quantum Chemistry Aided Design of Organic Polymers (World Scientific, Singapore, 1991), especially Chap. 2 and section 3.4.2.
-
(1991)
Quantum Chemistry Aided Design of Organic Polymers
-
-
Andre, J.-M.1
Delhalle, J.2
Bredas, J.-L.3
-
9
-
-
0024821263
-
-
N. A. Allinger, Y. H. Yuh, and J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1989); J.-H. Lii and N. A. Allinger, ibid. 111, 8576; N. A. Allinger, F. B. Li, and L. Q. Yan, J. Comput. Chem. 11, 848.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8551
-
-
Allinger, N.A.1
Yuh, Y.H.2
Lii, J.-H.3
-
10
-
-
0024804228
-
-
N. A. Allinger, Y. H. Yuh, and J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1989); J.-H. Lii and N. A. Allinger, ibid. 111, 8576; N. A. Allinger, F. B. Li, and L. Q. Yan, J. Comput. Chem. 11, 848.
-
J. Am. Chem. Soc.
, vol.111
, pp. 8576
-
-
Lii, J.-H.1
Allinger, N.A.2
-
11
-
-
84986492458
-
-
N. A. Allinger, Y. H. Yuh, and J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1989); J.-H. Lii and N. A. Allinger, ibid. 111, 8576; N. A. Allinger, F. B. Li, and L. Q. Yan, J. Comput. Chem. 11, 848.
-
J. Comput. Chem.
, vol.11
, pp. 848
-
-
Allinger, N.A.1
Li, F.B.2
Yan, L.Q.3
-
12
-
-
84986518863
-
-
P. K. Weiner and P. A. Kollman, J. Comput. Chem. 2, 287 (1981); S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta, Jr., and P. Weiner, J. Am. Chem. Soc. 106, 765 (1984); S. J. Weiner, P. A. Kollman, D. T. Nguyen, and D. A. Case, J. Comput. Chem. 7, 230 (1986).
-
(1981)
J. Comput. Chem.
, vol.2
, pp. 287
-
-
Weiner, P.K.1
Kollman, P.A.2
-
13
-
-
0021757436
-
-
P. K. Weiner and P. A. Kollman, J. Comput. Chem. 2, 287 (1981); S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta, Jr., and P. Weiner, J. Am. Chem. Soc. 106, 765 (1984); S. J. Weiner, P. A. Kollman, D. T. Nguyen, and D. A. Case, J. Comput. Chem. 7, 230 (1986).
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 765
-
-
Weiner, S.J.1
Kollman, P.A.2
Case, D.A.3
Singh, U.C.4
Ghio, C.5
Alagona, G.6
Profeta Jr., S.7
Weiner, P.8
-
14
-
-
84988053694
-
-
P. K. Weiner and P. A. Kollman, J. Comput. Chem. 2, 287 (1981); S. J. Weiner, P. A. Kollman, D. A. Case, U. C. Singh, C. Ghio, G. Alagona, S. Profeta, Jr., and P. Weiner, J. Am. Chem. Soc. 106, 765 (1984); S. J. Weiner, P. A. Kollman, D. T. Nguyen, and D. A. Case, J. Comput. Chem. 7, 230 (1986).
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
15
-
-
84986512474
-
-
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
17
-
-
0042041206
-
-
A. K. Rappé, C. J. Casewit, K. S. Colwell, W. A. Goddard III, and W. M. Skiff, J. Am. Chem. Soc. 114, 10024 (1992).
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10024
-
-
Rappé, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard III, W.A.4
Skiff, W.M.5
-
19
-
-
0003730993
-
-
McGraw-Hill, New York
-
J. Hine, Physical Organic Chemistry (McGraw-Hill, New York, 1962), pp. 95-98, 285-287.
-
(1962)
Physical Organic Chemistry
, pp. 95-98
-
-
Hine, J.1
-
20
-
-
0005705264
-
-
Ref. 3
-
M. Charton, T. Fujita, and H. Iwamura, Steric Effects in Drug Design (Ref. 3), pp. 57-92, 107-118, 119-158.
-
Steric Effects in Drug Design
, pp. 57-92
-
-
Charton, M.1
Fujita, T.2
Iwamura, H.3
-
21
-
-
0003556249
-
-
Wiley, New York
-
J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Liquids and Gases (Wiley, New York, 1954). pp. 22-35, 916-1102.
-
(1954)
Molecular Theory of Liquids and Gases
, pp. 22-35
-
-
Hirschfelder, J.O.1
Curtiss, C.F.2
Bird, R.B.3
-
22
-
-
5244318085
-
-
Clarendon, Oxford, Chap. 9, Appendix 1
-
G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham, Intermolecular Forces (Clarendon, Oxford, 1981), Chap. 9, Appendix 1, and pp. 23-31.
-
(1981)
Intermolecular Forces
, pp. 23-31
-
-
Maitland, G.C.1
Rigby, M.2
Smith, E.B.3
Wakeham, W.A.4
-
23
-
-
0003875223
-
-
Clarendon, Oxford, Chap. 8
-
M. Rigby, E. B. Smith, W. A. Wakeham, and G. C. Maitland, The Forces Between Molecules (Clarendon, Oxford, 1986), Chap. 8.
-
(1986)
The Forces between Molecules
-
-
Rigby, M.1
Smith, E.B.2
Wakeham, W.A.3
Maitland, G.C.4
-
25
-
-
0007852332
-
-
J. P. Toennies, Chem. Phys. Lett. 20, 238 (1973); Faraday Discuss. Chem. Soc. 55, 129 (1973); J. P. Toennies, W. Welz, and G. Wolf, J. Chem. Phys. 71, 614 (1979).
-
(1973)
Chem. Phys. Lett.
, vol.20
, pp. 238
-
-
Toennies, J.P.1
-
26
-
-
0001090209
-
-
J. P. Toennies, Chem. Phys. Lett. 20, 238 (1973); Faraday Discuss. Chem. Soc. 55, 129 (1973); J. P. Toennies, W. Welz, and G. Wolf, J. Chem. Phys. 71, 614 (1979).
-
(1973)
Faraday Discuss. Chem. Soc.
, vol.55
, pp. 129
-
-
-
27
-
-
0001627729
-
-
J. P. Toennies, Chem. Phys. Lett. 20, 238 (1973); Faraday Discuss. Chem. Soc. 55, 129 (1973); J. P. Toennies, W. Welz, and G. Wolf, J. Chem. Phys. 71, 614 (1979).
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 614
-
-
Toennies, J.P.1
Welz, W.2
Wolf, G.3
-
32
-
-
84884501597
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Repogle, 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 A, Gaussian, Inc., Pittsburgh, PA, 1992.
-
(1992)
GAUSSIAN 92, Revision A
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Repogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
33
-
-
0001968788
-
-
GAMESS version March 1992
-
GAMESS version March 1992, M. W. Schmidt, K. K. Baldridge, J. A. Boatz, J. H. Jensen, S. Koscki, M. S. Gordon, K. A. Nguyen, T. L. Windus, S. T. Elbert, QCPE Bull. 10, 52 (1990).
-
(1990)
QCPE Bull.
, vol.10
, pp. 52
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Jensen, J.H.4
Koscki, S.5
Gordon, M.S.6
Nguyen, K.A.7
Windus, T.L.8
Elbert, S.T.9
-
34
-
-
0000624732
-
-
O. J. Sovers, C. W. Kern, R. M. Pitzer, and M. Karplus, J. Chem. Phys. 49, 2592 (1968).
-
(1968)
J. Chem. Phys.
, vol.49
, pp. 2592
-
-
Sovers, O.J.1
Kern, C.W.2
Pitzer, R.M.3
Karplus, M.4
-
35
-
-
34250926854
-
-
V. Fock, Z. Phys. 61, 126 (1930).
-
(1930)
Z. Phys.
, vol.61
, pp. 126
-
-
Fock, V.1
-
37
-
-
0000728735
-
-
P. A. Christiansen and W. E. Palke, Chem. Phys. Lett. 31, 462 (1975); J. Chem. Phys. 67, 57 (1977).
-
(1977)
J. Chem. Phys.
, vol.67
, pp. 57
-
-
-
45
-
-
0004107551
-
-
Reference 15, pp. 1065-1075; Ref. 12, p. 544; Prentice-Hall, Englewood Cliffs, NJ
-
Reference 15, pp. 1065-1075; Ref. 12, p. 544; K. S. Pitzer, Quantum Chemistry (Prentice-Hall, Englewood Cliffs, NJ, 1953), pp. 201, 202.
-
(1953)
Quantum Chemistry
, pp. 201
-
-
Pitzer, K.S.1
-
46
-
-
85033167210
-
-
Reference 15, pp. 1065-1075; Ref. 12, p. 544; Ref. 16, pp. 486, 487
-
Reference 15, pp. 1065-1075; Ref. 12, p. 544; Ref. 16, pp. 486, 487.
-
-
-
-
47
-
-
85033166294
-
-
Reference 15, p. 32
-
Reference 15, p. 32.
-
-
-
-
48
-
-
85033175782
-
-
note
-
The selected range contains energies that are low enough (<100 kcal/mol) not to produce strong distortions of the electron distribution, yet high enough (>0.01 kcal/mol) not to be affected by incorrect behavior of Gaussian basis functions at large distances where repulsion is negligible.
-
-
-
-
49
-
-
85033179201
-
-
Reference 15, p. 1071
-
Reference 15, p. 1071.
-
-
-
-
52
-
-
85033187027
-
-
Reference 15, pp. 1064-1071
-
Reference 15, pp. 1064-1071.
-
-
-
-
54
-
-
85033184846
-
-
Reference 32, p. 260
-
Reference 32, p. 260.
-
-
-
-
55
-
-
5244264312
-
-
Y. V. Zefirov and P. M. Zorkii, J. Struct. Chem. 15, 102 (1974); 17, 644 (1976); Y. V. Zefirov and M. A. Porai-Koshits, ibid. 27, 239 (1986).
-
(1974)
J. Struct. Chem.
, vol.15
, pp. 102
-
-
Zefirov, Y.V.1
Zorkii, P.M.2
-
56
-
-
5244264312
-
-
Y. V. Zefirov and P. M. Zorkii, J. Struct. Chem. 15, 102 (1974); 17, 644 (1976); Y. V. Zefirov and M. A. Porai-Koshits, ibid. 27, 239 (1986).
-
(1976)
J. Struct. Chem.
, vol.17
, pp. 644
-
-
-
59
-
-
36549094851
-
-
A. E. Reed and F. Weinhold, J. Chem. Phys. 84, 2428 (1986); E. D. Glendening, J. K. Badenhoop, and F. Weinhold, NBO 4.0 Program Manual Sections B.2.3 and B.2.6 (available through the Theoretical Chemistry Institute, Univesity of Wisconsin, Madison).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 2428
-
-
Reed, A.E.1
Weinhold, F.2
-
60
-
-
0004025313
-
-
Sections B.2.3 and B.2.6 (available through the Theoretical Chemistry Institute, Univesity of Wisconsin, Madison)
-
A. E. Reed and F. Weinhold, J. Chem. Phys. 84, 2428 (1986); E. D. Glendening, J. K. Badenhoop, and F. Weinhold, NBO 4.0 Program Manual Sections B.2.3 and B.2.6 (available through the Theoretical Chemistry Institute, Univesity of Wisconsin, Madison).
-
NBO 4.0 Program Manual
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Weinhold, F.3
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