-
1
-
-
85022358302
-
-
In press
-
Maple, J.R.; Hwang, M.-J.; Stockfisch, T.; Dinur, U.; Waldman, M.; Ewig, C.; Hagler, A.T. J. Comp. Chem. In press.
-
J. Comp. Chem.
-
-
Maple, J.R.1
Hwang, M.-J.2
Stockfisch, T.3
Dinur, U.4
Waldman, M.5
Ewig, C.6
Hagler, A.T.7
-
2
-
-
0000051486
-
-
Maple, J.R.; Dinur, U.; Hagler, A.T. Proc. Natl. Acad. Sci. U.S.A. 1988, 69, 5350-5353.
-
(1988)
Proc. Natl. Acad. Sci. U.S.A.
, vol.69
, pp. 5350-5353
-
-
Maple, J.R.1
Dinur, U.2
Hagler, A.T.3
-
5
-
-
0000003155
-
-
Hagler, A.T.; Stern, P.S.; Lifson, S.; Ariel, S. J. Am. Chem. Soc. 1979, 101, 813-819.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 813-819
-
-
Hagler, A.T.1
Stern, P.S.2
Lifson, S.3
Ariel, S.4
-
8
-
-
33947295730
-
-
Chang, S.; McNally, D.; Shary-Tehrany, S.; Hickey, S.M.; Boyd, R.M. J. Am. Chem. Soc. 1970, 92, 3109-3118.
-
(1970)
J. Am. Chem. Soc.
, vol.92
, pp. 3109-3118
-
-
Chang, S.1
McNally, D.2
Shary-Tehrany, S.3
Hickey, S.M.4
Boyd, R.M.5
-
9
-
-
0024821263
-
-
Allinger, N.L.; Yuh, Y.H.; Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 8551-8566.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8551-8566
-
-
Allinger, N.L.1
Yuh, Y.H.2
Lii, J.-H.3
-
12
-
-
84988053694
-
-
Weiner, S.J.; Kollman, P.A.; Nguyen, D.T.; Case, D.A. J. Comp. Chem. 1986, 7, 230-252.
-
(1986)
J. Comp. Chem.
, vol.7
, pp. 230-252
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguyen, D.T.3
Case, D.A.4
-
14
-
-
0023769808
-
-
Dauber-Osguthorpe, P.; Roberts, V.A.; Osguthorpe, D.J.; Wolff, J.; Genest, M.; Hagler, A.T. Proteins; Struct. Funct. Genet. 1988, 4, 31-47.
-
(1988)
Proteins; Struct. Funct. Genet.
, vol.4
, pp. 31-47
-
-
Dauber-Osguthorpe, P.1
Roberts, V.A.2
Osguthorpe, D.J.3
Wolff, J.4
Genest, M.5
Hagler, A.T.6
-
15
-
-
0001772690
-
-
Lipkowitz, K.B., Boyd, D.B., Eds.; VCH Publishers: New York Chapter 4
-
Dinur, U.; Hagler, A.T. In Reviews in Computational Chemistry; Lipkowitz, K.B., Boyd, D.B., Eds.; VCH Publishers: New York, 1991; Vol. 2, Chapter 4, pp 99-164.
-
(1991)
In Reviews in Computational Chemistry
, vol.2
, pp. 99-164
-
-
Dinur, U.1
Hagler, A.T.2
-
16
-
-
0344607093
-
-
van Gunsteren, Weiner, Eds.; ESCOM: Leiden
-
Hagler, A.T.; Maple, J.R.; Thacher, T.S.; Fitzgerald, G.B.; Dinur, U. In Computer Simulation of Biomolecular Systems—Theoretical and Experimental Applications; van Gunsteren, Weiner, Eds.; ESCOM: Leiden, 1989; pp 149-167.
-
(1989)
In Computer Simulation of Biomolecular Systems—Theoretical and Experimental Applications
, pp. 149-167
-
-
Hagler, A.T.1
Maple, J.R.2
Thacher, T.S.3
Fitzgerald, G.B.4
Dinur, U.5
-
19
-
-
84943883332
-
-
Bolm, C.E.; Slingezland, P.J.; Altona, C. Mol. Phys. 1976, 31, 1359-1376.
-
(1976)
Mol. Phys.
, vol.31
, pp. 1359-1376
-
-
Bolm, C.E.1
Slingezland, P.J.2
Altona, C.3
-
22
-
-
15944395860
-
-
Pulay, P.; Fogarasi, G.; Pang, F.; Boggs, J.E. J. Am. Chem. Soc. 1979, 101, 2550-2560.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 2550-2560
-
-
Pulay, P.1
Fogarasi, G.2
Pang, F.3
Boggs, J.E.4
-
23
-
-
33749294866
-
-
Shaw, R.A.; Ibrahim, N.; Wieser, H. Can. J. Chem. 1990, 68, 90-101.
-
(1990)
Can. J. Chem.
, vol.68
, pp. 90-101
-
-
Shaw, R.A.1
Ibrahim, N.2
Wieser, H.3
-
25
-
-
0005667651
-
-
Duller, R.; Rauk, A.; Shaw, R.A. J. Phys. Chem. 1990, 94, 118-124.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 118-124
-
-
Duller, R.1
Rauk, A.2
Shaw, R.A.3
-
26
-
-
0005769963
-
-
Somogyi, A.; Jalsovszky, G.; Fulop, C.; Stark, J.; Boggs, J.E. Spectrochim. Acta 1989, 45A, 679-693.
-
(1989)
Spectrochim. Acta
, vol.45A
, pp. 679-693
-
-
Somogyi, A.1
Jalsovszky, G.2
Fulop, C.3
Stark, J.4
Boggs, J.E.5
-
28
-
-
0001671269
-
-
McKean, D.C.; McQuillan, G.P.; Murphy, W.F.; Zerbetto, F. J. Phys. Chem. 1990, 94, 4820-4829
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 4820-4829
-
-
McKean, D.C.1
McQuillan, G.P.2
Murphy, W.F.3
Zerbetto, F.4
-
29
-
-
85022382040
-
-
McKean, D.C.; McQuillan, G.P.; Murphy, W.F.; Zerbetto, F. J. Phys. Chem. 1993, 97, 581-585.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 581-585
-
-
McKean, D.C.1
McQuillan, G.P.2
Murphy, W.F.3
Zerbetto, F.4
-
30
-
-
0008179248
-
-
Murphy, W.F.; Femandez-Sanchez, J.M.; Raghavachari, K. J. Phys. Chem. 1991, 95, 1124-1139.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 1124-1139
-
-
Murphy, W.F.1
Femandez-Sanchez, J.M.2
Raghavachari, K.3
-
32
-
-
84987108429
-
-
Koframek, M.; Karpfen, A.; Lischka, H. Int. J. Quantum Chem. 1990, 24, 721-732.
-
(1990)
Int. J. Quantum Chem.
, vol.24
, pp. 721-732
-
-
Koframek, M.1
Karpfen, A.2
Lischka, H.3
-
34
-
-
0016399124
-
-
Hagler, A.T.; Huler, E.; Lifson, S. J. Am. Chem. Soc. 1974, 96, 5319-5327.
-
(1974)
J. Am. Chem. Soc.
, vol.96
, pp. 5319-5327
-
-
Hagler, A.T.1
Huler, E.2
Lifson, S.3
-
36
-
-
33644787399
-
-
Lifson, S.; Hagler, A.T.; Dauber, P. J. Am. Chem. Soc. 1979, 101, 5111-5121.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5111-5121
-
-
Lifson, S.1
Hagler, A.T.2
Dauber, P.3
-
37
-
-
6344256147
-
-
Hagler, A.T.; Lifson, S.; Dauber, P. J. Am. Chem. Soc. 1979, 101, 5122-5130.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5122-5130
-
-
Hagler, A.T.1
Lifson, S.2
Dauber, P.3
-
38
-
-
0342864965
-
-
Pietila, L.-O.; Mannfors, B.; Palmo, K. J. Mol. Struct. 1990, 218, 315-320.
-
(1990)
J. Mol. Struct.
, vol.218
, pp. 315-320
-
-
Pietila, L.-O.1
Mannfors, B.2
Palmo, K.3
-
39
-
-
84986437103
-
-
Palmo, K.; Pietila, L.-O.; Krimm, S. J. Comput. Chem. 1991, 12, 385-390.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 385-390
-
-
Palmo, K.1
Pietila, L.-O.2
Krimm, S.3
-
40
-
-
84986533234
-
-
Aleman, C.; Canela, E.I.; Franco, R.; Orozco, M. J. Comput. Chem. 1991, 12, 664-674.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 664-674
-
-
Aleman, C.1
Canela, E.I.2
Franco, R.3
Orozco, M.4
-
43
-
-
85022369150
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M.J.; Head-Gordon, M.; Schlegel, M.B.; Raghavachari, K.; Binkley, J.S.; Gonzalez, C.; DeFrees, D.J.; Fox, D.J.; Whiteside, R.A.; Seeger, R.; Melius, C.F.; Baker, J.; Kahn, L.R.; Stewart, J.J.P.; Fluder, E.M.; Topiol, S.; Pople, J.A. Gaussian 58; Gaussian, Inc.: Pittsburgh, PA 15213.
-
Gaussian 58
, pp. 15213
-
-
Frisch, M.J.1
Head-Gordon, M.2
Schlegel, M.B.3
Raghavachari, K.4
Binkley, J.S.5
Gonzalez, C.6
DeFrees, D.J.7
Fox, D.J.8
Whiteside, R.A.9
Seeger, R.10
Melius, C.F.11
Baker, J.12
Kahn, L.R.13
Stewart, J.J.P.14
Fluder, E.M.15
Topiol, S.16
Pople, J.A.17
-
44
-
-
33847087644
-
-
Compton, D.A.; Montero, S.M.; Murphy, W.F. J. Phys. Chem. 1980, 84, 3587.
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 3587
-
-
Compton, D.A.1
Montero, S.M.2
Murphy, W.F.3
-
46
-
-
0025342926
-
-
Allinger, N.L.; Grev, R.S.; Yates, B.F.; Schaefer, H.F., III J. Am. Chem. Soc. 1990, 112, 114.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 114
-
-
Allinger, N.L.1
Grev, R.S.2
Yates, B.F.3
Schaefer, H.F.4
-
47
-
-
33847087644
-
-
Compton, D.A.; Montero, S.M.; Murphy, W.F. J. Phys. Chem. 1980, 84, 3587.
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 3587
-
-
Compton, D.A.1
Montero, S.M.2
Murphy, W.F.3
-
49
-
-
0025342926
-
-
Allinger, N.L.; Grev, R.S.; Yates, B.F.; Schaefer, H.F., III J. Am. Chem. Soc. 1990, 112, 114.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 114
-
-
Allinger, N.L.1
Grev, R.S.2
Yates, B.F.3
Schaefer, H.F.4
-
51
-
-
11644255806
-
-
Maissara, M.; Comut, J.C.; Devaure, J.; Lascombe, J. J. Spectrosc. Int. J. 1983, 104, 2.
-
(1983)
J. Spectrosc. Int. J.
, vol.104
, pp. 2
-
-
Maissara, M.1
Comut, J.C.2
Devaure, J.3
Lascombe, J.4
-
52
-
-
36549104464
-
-
Kanesaka, I.; Snyder, R.G.; Strauss, H.L. J. Chem. Phys. 1986, 84, 395.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 395
-
-
Kanesaka, I.1
Snyder, R.G.2
Strauss, H.L.3
|