-
3
-
-
0008063347
-
-
Hecht, S. M., Ed.; Oxford University Press: New York
-
Carter, C. W. In Bioorganic Chemistry: Peptides and Proteins, Topics in Bioorganic and Biological Chemistry; Hecht, S. M., Ed.; Oxford University Press: New York, 1998; p 153.
-
(1998)
Bioorganic Chemistry: Peptides and Proteins, Topics in Bioorganic and Biological Chemistry
, pp. 153
-
-
Carter, C.W.1
-
6
-
-
0037721149
-
-
Hobza, P.; Selzle, H. L.; Schlag, E. W. J. Phys. Chem. 1996, 100, 18790.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18790
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
9
-
-
0037063502
-
-
Sinnokrot, M. O.; Valeev, E. F.; Sherrill, C. D. J. Am. Chem. Soc. 2002, 124, 10887.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 10887
-
-
Sinnokrot, M.O.1
Valeev, E.F.2
Sherrill, C.D.3
-
10
-
-
0037129480
-
-
Leininger, M. L.; Nielsen, I. M. B.; Colvin, M. E.; Janssen, C. L. J. Phys. Chem. A 2002, 106, 3850.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 3850
-
-
Leininger, M.L.1
Nielsen, I.M.B.2
Colvin, M.E.3
Janssen, C.L.4
-
11
-
-
0037120835
-
-
Tsuzuki, S.; Honda, K.; Azumi, R. J. Am. Chem. Soc. 2002, 124, 12200.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 12200
-
-
Tsuzuki, S.1
Honda, K.2
Azumi, R.3
-
12
-
-
0000119421
-
-
Olsen, J.; Christiansen, O.; Koch, H.; Jørgensen, P. J. Chem. Phys. 1996, 705, 5082.
-
(1996)
J. Chem. Phys.
, vol.705
, pp. 5082
-
-
Olsen, J.1
Christiansen, O.2
Koch, H.3
Jørgensen, P.4
-
13
-
-
0001301251
-
-
Larsen, H.; Halkier, A.; Olsen, J.; Jørgensen, P. J. Chem. Phys. 2000, 112, 1107.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1107
-
-
Larsen, H.1
Halkier, A.2
Olsen, J.3
Jørgensen, P.4
-
14
-
-
0033723572
-
-
Leininger, M. L.; Allen, W. D.; Schaefer, H. F., Ill; Sherrill, C. D. J. Chem. Phys. 2000, 112, 9213.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 9213
-
-
Leininger, M.L.1
Allen, W.D.2
Schaefer III, H.F.3
Sherrill, C.D.4
-
20
-
-
0000224586
-
-
Tao, F.; Drucker, S.; Klemperer, W. J. Chem. Phys. 1995, 102, 7289.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7289
-
-
Tao, F.1
Drucker, S.2
Klemperer, W.3
-
21
-
-
0000290521
-
-
Wada, A.; Kanamori, H.; Iwata, S. J. Chem. Phys. 1998, 109, 9434.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 9434
-
-
Wada, A.1
Kanamori, H.2
Iwata, S.3
-
24
-
-
36549101422
-
-
Scuseria, G.; Scheiner, A.; Lee, T.; Rice, J.; Schaefer, H. J. Chem. Phys. 1987, 86, 2881.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2881
-
-
Scuseria, G.1
Scheiner, A.2
Lee, T.3
Rice, J.4
Schaefer, H.5
-
25
-
-
36549098398
-
-
Scuseria, G.; Janssen, C.; Schaefer, H. J. Chem. Phys. 1988, 89, 7382.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.1
Janssen, C.2
Schaefer, H.3
-
26
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G.; Pople, J.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.2
Pople, J.3
Head-Gordon, M.4
-
28
-
-
0034685467
-
-
Tsuzuki, S.; Honda, K.; Uchimaru, T.; Mikami, M.; Tanabe, K. J. Am. Chem. Soc. 2000, 122, 3746.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 3746
-
-
Tsuzuki, S.1
Honda, K.2
Uchimaru, T.3
Mikami, M.4
Tanabe, K.5
-
30
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
33
-
-
0000957639
-
-
Hobza, P.; Mehlhorn, A.; Čársky, P.; Zahradník, R. J. Mol. Struct. (THEOCHEM) 1986, 138, 387.
-
(1986)
J. Mol. Struct. (THEOCHEM)
, vol.138
, pp. 387
-
-
Hobza, P.1
Mehlhorn, A.2
Čársky, P.3
Zahradník, R.4
-
37
-
-
0004040381
-
-
Stanton, J. F.; Gauss, J.; Lauderdale, W. J.; Watts, J. D.; Bartlett, R. J. ACES II. The package also contains modified versions of the MOLECULE Gaussian integral program of Almlöf, J. and Taylor, P. R., the ABACUS integral derivative program written by Helgaker, T. U.; H. J. Aa. Jensen, Jørgensen, P.; Taylor, P. R. and the PROPS property evaluation integral code of Taylor, P. R.
-
Aces II
-
-
Stanton, J.F.1
Gauss, J.2
Lauderdale, W.J.3
Watts, J.D.4
Bartlett, R.J.5
-
38
-
-
0041984565
-
-
PSITECH, Inc.: Watkinsville, GA
-
Crawford, T. D.; Sherrill, C. D.; Valeev, E. F.; Fermann, J. T.; Leininger, M. L.; King, R. A.; Brown, S. T.; Janssen, C. L.; Seidl, E. T.; Yamaguchi, Y.; Allen, W. D.; Kellogg, C. B.; Schaefer, H. F., III. Psi 3.2; PSITECH, Inc.: Watkinsville, GA, 2002.
-
(2002)
Psi 3.2
-
-
Crawford, T.D.1
Sherrill, C.D.2
Valeev, E.F.3
Fermann, J.T.4
Leininger, M.L.5
King, R.A.6
Brown, S.T.7
Janssen, C.L.8
Seidl, E.T.9
Yamaguchi, Y.10
Allen, W.D.11
Kellogg, C.B.12
Schaefer III, H.F.13
-
39
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision a.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision a.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
40
-
-
0041767347
-
-
Patel, K.; Butler, P. R.; Ellis, A. M.; Wheeler, M. D. J. Chem. Phys. 2003, 119, 909.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 909
-
-
Patel, K.1
Butler, P.R.2
Ellis, A.M.3
Wheeler, M.D.4
-
43
-
-
0000047736
-
-
Yang, M.; Alexander, M. H.; Werner, H.-J.; Bemish, R. J. J. Chem. Phys. 1996, 105, 10462.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 10462
-
-
Yang, M.1
Alexander, M.H.2
Werner, H.-J.3
Bemish, R.J.4
-
45
-
-
42949095551
-
-
Uhlik, F.; Salanina, Z.; Hinchliffe, A. J. Mol. Struct. (THEOCHEM) 1993, 282, 271.
-
(1993)
J. Mol. Struct. (THEOCHEM)
, vol.282
, pp. 271
-
-
Uhlik, F.1
Salanina, Z.2
Hinchliffe, A.3
-
46
-
-
0034803642
-
-
Aquilanti, V.; Bartolomei, M.; Cappelletti, D.; Carmona-Novillo, E.; Pirani, F. Phys. Chem. Chem. Phys. 2001, 3, 3891.
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 3891
-
-
Aquilanti, V.1
Bartolomei, M.2
Cappelletti, D.3
Carmona-Novillo, E.4
Pirani, F.5
-
47
-
-
0037043365
-
-
Aquilanti, V.; Bartolomei, M.; Cappelletti, D.; Carmona-Novillo, E.; Pirani, F. J. Chem. Phys. 2002, 117, 615.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 615
-
-
Aquilanti, V.1
Bartolomei, M.2
Cappelletti, D.3
Carmona-Novillo, E.4
Pirani, F.5
-
49
-
-
37049084621
-
-
Bryant, G. W.; Eggers, D. F.; Watts, R. O. J. Chem. Soc., Faraday Trans. 2 1988, 84, 1443.
-
(1988)
J. Chem. Soc., Faraday Trans. 2
, vol.84
, pp. 1443
-
-
Bryant, G.W.1
Eggers, D.F.2
Watts, R.O.3
-
50
-
-
2342523421
-
-
Sakai, K.; Koide, A.; Kihara, T. Chem. Phys. Lett. 1977, 47, 416.
-
(1977)
Chem. Phys. Lett.
, vol.47
, pp. 416
-
-
Sakai, K.1
Koide, A.2
Kihara, T.3
-
51
-
-
36549091986
-
-
Pritchard, D. G.; Nandi, R. N.; Muenter, J. S. J. Chem. Phys. 1988, 89, 115.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 115
-
-
Pritchard, D.G.1
Nandi, R.N.2
Muenter, J.S.3
-
52
-
-
36549101106
-
-
Fraser, G. T.; Suenram, R. D.; Lovas, F. J.; Pine, A. S.; Hougen, J. T.; Lafferty, W. J.; Muenter, J. S. J. Chem. Phys. 1988, 89, 6028.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 6028
-
-
Fraser, G.T.1
Suenram, R.D.2
Lovas, F.J.3
Pine, A.S.4
Hougen, J.T.5
Lafferty, W.J.6
Muenter, J.S.7
-
53
-
-
0000074299
-
-
Aoyama, T.; Matsuoka, O.; Nakagawa, N. Chem. Phys. Lett. 1979, 67, 508.
-
(1979)
Chem. Phys. Lett.
, vol.67
, pp. 508
-
-
Aoyama, T.1
Matsuoka, O.2
Nakagawa, N.3
-
54
-
-
36549095969
-
-
Alberts, I. L.; Rowlands, T. W.; Handy, N. C. J. Chem. Phys. 1988, 88, 3811.
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 3811
-
-
Alberts, I.L.1
Rowlands, T.W.2
Handy, N.C.3
-
55
-
-
0037611695
-
-
Petrusová, H.; Havlas, Z.; Hobza, P.; Zahradnxclk, R. Collect. Czech. Chem. Commun. 1988, 53, 2495.
-
(1988)
Collect. Czech. Chem. Commun.
, vol.53
, pp. 2495
-
-
Petrusová, H.1
Havlas, Z.2
Hobza, P.3
Zahradnxclk, R.4
-
56
-
-
0043053223
-
-
Craw, J. S.; Almeida, W. B. D.; Hinchliffe, A. J. Mol Struct. (THEOCHEM) 1989, 201, 69.
-
(1989)
J. Mol Struct. (THEOCHEM)
, vol.201
, pp. 69
-
-
Craw, J.S.1
Almeida, W.B.D.2
Hinchliffe, A.3
-
57
-
-
0042586270
-
-
Yu, J.; Su, S.; Bloor, J. E. J. Phys. Chem. 1990, 94, 5589.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5589
-
-
Yu, J.1
Su, S.2
Bloor, J.E.3
-
59
-
-
0001679355
-
-
Hobza, P.; Selzle, H. L.; Schlag, E. W. Collect. Czech. Chem. Commun. 1992, 57, 1186.
-
(1992)
Collect. Czech. Chem. Commun.
, vol.57
, pp. 1186
-
-
Hobza, P.1
Selzle, H.L.2
Schlag, E.W.3
-
60
-
-
11544305804
-
-
Tsuzuki, S.; Uchimaru, T.; Mikarni, M.; Tanabe, K. J. Phys. Chem. A 1998, 102, 2091.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2091
-
-
Tsuzuki, S.1
Uchimaru, T.2
Mikarni, M.3
Tanabe, K.4
-
65
-
-
0000416254
-
-
Almeida, W. B. D.; Resende, S. M.; Santos, H. F. D. Mol. Phys. 1994, 81, 1397.
-
(1994)
Mol. Phys.
, vol.81
, pp. 1397
-
-
Almeida, W.B.D.1
Resende, S.M.2
Santos, H.F.D.3
-
66
-
-
0038682793
-
-
Suni, I. I.; Lee, S.; Klemperer, W. J. Phys. Chem. 1991, 95, 2859.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 2859
-
-
Suni, I.I.1
Lee, S.2
Klemperer, W.3
|