-
2
-
-
2442707579
-
-
Williams, W. V., Weiner, D. B., Eds.; Technomic Publishing: Basel, Switzerland
-
Balaji, V. N.; Ramnarayan, K. In Biological Active Peptides: Design, Synthesis and Utilization; Williams, W. V., Weiner, D. B., Eds.; Technomic Publishing: Basel, Switzerland, 1991.
-
(1991)
Biological Active Peptides: Design, Synthesis and Utilization
-
-
Balaji, V.N.1
Ramnarayan, K.2
-
3
-
-
0001755903
-
-
Yu, D.; Armstrong, D. A.; Rauk, A. Can. J. Chem. 1992, 70, 1762.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 1762
-
-
Yu, D.1
Armstrong, D.A.2
Rauk, A.3
-
5
-
-
2442690191
-
-
and references therein
-
Ramek, M.; Cheng, V. K. W.; Frey, R. F.; Newton, S. Q.; Schafer, L. J. Mol. Struct. 1991, 186, 12, and references therein.
-
(1991)
J. Mol. Struct.
, vol.186
, pp. 12
-
-
Ramek, M.1
Cheng, V.K.W.2
Frey, R.F.3
Newton, S.Q.4
Schafer, L.5
-
8
-
-
11644291455
-
-
Frey, R. F.; Conffin, J.; Newton, S. Q.; Ramek, M.; Chang, V. K.; W.; Momany, F. A.; Schafer, L. J. Am. Chem. Soc. 1992, 114, 5369.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 5369
-
-
Frey, R.F.1
Conffin, J.2
Newton, S.Q.3
Ramek, M.4
Chang, V.K.W.5
Momany, F.A.6
Schafer, L.7
-
9
-
-
0013271660
-
-
Chipot, C.; Maigret, B.; Rivail, L.-L. J. Phys. Chem. 1992, 96, 10276.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10276
-
-
Chipot, C.1
Maigret, B.2
Rivail, L.-L.3
-
11
-
-
0000470945
-
-
Bliznyuk, A. A.; Sehaefer, H. F., III; Amster, I. J. J. Am. Chem. Soc. 1993, 115, 5149.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5149
-
-
Bliznyuk, A.A.1
Sehaefer III, H.F.2
Amster, I.J.3
-
12
-
-
0027196663
-
-
Hu, C.-H.; Shen, M.; Sehaefer, H. F., III J. Am. Chem. Soc. 1993, 115, 2923.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 2923
-
-
Hu, C.-H.1
Shen, M.2
Sehaefer III, H.F.3
-
13
-
-
36449000071
-
-
Barone, V.; Adamo, C.; Lelj, F. J. Chem. Phys. 1995, 102, 364.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 364
-
-
Barone, V.1
Adamo, C.2
Lelj, F.3
-
14
-
-
0000019460
-
-
Erratum 1995, 235, 617
-
Reva, I. D.; Plokhotnichenko, A. M.; Stepanian, S. G.; Ivanov, A. Y.; Radchenko, E. D.; Sheina, G. G.; Blagoi, Y. P. Chem. Phys. Lett. 1995, 232, 141, Erratum 1995, 235, 617.
-
(1995)
Chem. Phys. Lett.
, vol.232
, pp. 141
-
-
Reva, I.D.1
Plokhotnichenko, A.M.2
Stepanian, S.G.3
Ivanov, A.Y.4
Radchenko, E.D.5
Sheina, G.G.6
Blagoi, Y.P.7
-
17
-
-
0001866309
-
-
(b) Godfrey, P. D.; Brown, R. D.; Rodgers, F. M. J. Mol. Struct. 1996, 376, 65.
-
(1996)
J. Mol. Struct.
, vol.376
, pp. 65
-
-
Godfrey, P.D.1
Brown, R.D.2
Rodgers, F.M.3
-
18
-
-
0029820807
-
-
Neville, J. J.; Zheng, Y.; Brion, C. E. J. Am. Chem. Soc. 1996, 118, 10533.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10533
-
-
Neville, J.J.1
Zheng, Y.2
Brion, C.E.3
-
19
-
-
0001668259
-
-
Ramek, M.; Momany, F. A.; Miller, D. M.; Schafer, L. J. Mol. Struct. 1996, 375, 189.
-
(1996)
J. Mol. Struct.
, vol.375
, pp. 189
-
-
Ramek, M.1
Momany, F.A.2
Miller, D.M.3
Schafer, L.4
-
27
-
-
0003154550
-
-
Rogalewicz, F.; Ohanessian, G.; Gresh, N. J. Comput. Chem. 2000, 21, 963.
-
(2000)
J. Comput. Chem.
, vol.21
, pp. 963
-
-
Rogalewicz, F.1
Ohanessian, G.2
Gresh, N.3
-
28
-
-
0038116506
-
-
Ai, H.; Bu, Y.; Han, K. J. Chem. Phys. 2003, 118, 10973.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 10973
-
-
Ai, H.1
Bu, Y.2
Han, K.3
-
29
-
-
0042976363
-
-
Ai, H.; Bu, Y.; Li, P. Int. J. Quantum Chem. 2003, 94, 205.
-
(2003)
Int. J. Quantum Chem.
, vol.94
, pp. 205
-
-
Ai, H.1
Bu, Y.2
Li, P.3
-
30
-
-
0001234164
-
-
Zhang, K.; Zimmerman, D. M.; Chung-Phillips, A.; Cassady, C. J. J. Am. Chem. Soc. 1993, 115, 10812.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 10812
-
-
Zhang, K.1
Zimmerman, D.M.2
Chung-Phillips, A.3
Cassady, C.J.4
-
31
-
-
33751156765
-
-
Cassady, C. J.; Carr, S. R.; Zhang, K.; Chung-Phillips, A. J. Org. Chem. 1995, 60, 1704.
-
(1995)
J. Org. Chem.
, vol.60
, pp. 1704
-
-
Cassady, C.J.1
Carr, S.R.2
Zhang, K.3
Chung-Phillips, A.4
-
32
-
-
0008080723
-
-
Wright, L. R.; Borkman, R. F.; Gabriell, A. M. J. Phys. Chem. 1982, 86, 3951
-
(1982)
J. Phys. Chem.
, vol.86
, pp. 3951
-
-
Wright, L.R.1
Borkman, R.F.2
Gabriell, A.M.3
-
34
-
-
0028863703
-
-
Yu, D.; Rauk, A.; Armstrong, D. A. J. Am. Chem. Soc. 1995, 117, 1789.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1789
-
-
Yu, D.1
Rauk, A.2
Armstrong, D.A.3
-
35
-
-
0003116163
-
-
In press. Mallard, W. G., Linstrom, P. J., Eds.; NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg, MD
-
Hunter, E. P.; Lias, S. G. J. Phys. Chem. Ref. Data In press. See also: Mallard, W. G., Linstrom, P. J., Eds.; NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg, MD, 1997.
-
(1997)
J. Phys. Chem. Ref. Data
-
-
Hunter, E.P.1
Lias, S.G.2
-
36
-
-
0037159407
-
-
Ai, H.; Bu, Y.; Han, K. J. Chem. Phys. 2002, 117, 7593.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 7593
-
-
Ai, H.1
Bu, Y.2
Han, K.3
-
37
-
-
0034684218
-
-
Maciej, G.; Piotr, S.; Jack, S. J. Am. Chem. Soc. 2000, 122, 10159.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10159
-
-
Maciej, G.1
Piotr, S.2
Jack, S.3
-
38
-
-
0003751509
-
-
Freeman, W. H., Co.: New York
-
Cantor, C. R.; Schimmel, P. R. Biophysical Chemistry; Freeman, W. H., Co.: New York, 1980; Part 1, pp 41-55.
-
(1980)
Biophysical Chemistry
, Issue.PART 1
, pp. 41-55
-
-
Cantor, C.R.1
Schimmel, P.R.2
-
42
-
-
2442651304
-
-
Piotr, S.; Janusk, R.; Jack, S.; Maciej, G. J. Am. Chem. Soc. 2001, 123, 11073.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 11073
-
-
Piotr, S.1
Janusk, R.2
Jack, S.3
Maciej, G.4
-
43
-
-
0035828636
-
-
Aflatooni, K.; Hitt, B.; Gallup, G. A.; Burrow, P. D. J. Chem. Phys. 2001, 115, 6489.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6489
-
-
Aflatooni, K.1
Hitt, B.2
Gallup, G.A.3
Burrow, P.D.4
-
44
-
-
0037187138
-
-
Li, X.; Cai, Z.; Sevilla, M. D. J. Phys. Chem. 2002, 106, 1596.
-
(2002)
J. Phys. Chem.
, vol.106
, pp. 1596
-
-
Li, X.1
Cai, Z.2
Sevilla, M.D.3
-
46
-
-
0034322575
-
-
(a) Strittmatter, E. F. Lemoff, A. S.; Williams, E. R. J. Phys. Chem. A 2000, 104, 9793.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 9793
-
-
Strittmatter, E.F.1
Lemoff, A.S.2
Williams, E.R.3
-
47
-
-
0001676153
-
-
(b) Bertran, J.; R_Sautiago, L.; Sodupe, M. J. Phys. Chem. B 1999, 103, 2310
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 2310
-
-
Bertran, J.1
R-Sautiago, L.2
Sodupe, M.3
-
48
-
-
0037460269
-
-
(c) Ai, H.; Bu, Y.; Chen, Z. J. Chem. Phys. 2003, 118, 1761.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1761
-
-
Ai, H.1
Bu, Y.2
Chen, Z.3
-
49
-
-
0001263004
-
-
Santiago, L. R.; Sodupe, M.; Oliva, A.; Bertran, J. J. Phys. Chem. A 2000, 104, 1256.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 1256
-
-
Santiago, L.R.1
Sodupe, M.2
Oliva, A.3
Bertran, J.4
-
52
-
-
36549091806
-
-
(c) Petersson, G. A. Bennett, A.; Tensfeldt, T. G.; Al-Laham, M. A.; Shirley, W. A.; Mantzaris, J. J. Chem. Phys. 1988, 59, 2193.
-
(1988)
J. Chem. Phys.
, vol.59
, pp. 2193
-
-
Petersson, G.A.1
Bennett, A.2
Tensfeldt, T.G.3
Al-Laham, M.A.4
Shirley, W.A.5
Mantzaris, J.6
-
57
-
-
0006244148
-
-
Raghavachri, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 57, 479.
-
(1989)
Chem. Phys. Lett.
, vol.57
, pp. 479
-
-
Raghavachri, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
58
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
59
-
-
0037071977
-
-
Simon, S.; Sodupe, M.; Bertran, J. J. Phys. Chem. A. 2002, 106, 5697.
-
(2002)
J. Phys. Chem. A.
, vol.106
, pp. 5697
-
-
Simon, S.1
Sodupe, M.2
Bertran, J.3
-
60
-
-
0000613556
-
-
Nguyen, D. T. Scheimer, A. C.; Andzelm, J. W.; Sirois, S.; Salahub, D. R.; Hagler, A. T. J. Comput. Chem. 1997, 18, 1609.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1609
-
-
Nguyen, D.T.1
Scheimer, A.C.2
Andzelm, J.W.3
Sirois, S.4
Salahub, D.R.5
Hagler, A.T.6
-
62
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
(a) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; et al. Gaussian 94, Revision D.1, Gaussian, Inc., Pittsburgh, PA, 1994.
-
(1994)
Gaussian 94, Revision D.1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
-
63
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
(b) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; et al. Gaussian 98, Revision A.3, Gaussian, Inc., Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
-
64
-
-
0000537410
-
-
Messey, V.; Gibson, Q. H.; Veeger, C. Biochem. J. 1960, 77, 341.
-
(1960)
Biochem. J.
, vol.77
, pp. 341
-
-
Messey, V.1
Gibson, Q.H.2
Veeger, C.3
-
66
-
-
0033463887
-
-
Nishimoto, K. Higashimura, K.; Asada, T. Theor Chem Acc 1999, 102, 355.
-
(1999)
Theor Chem Acc
, vol.102
, pp. 355
-
-
Nishimoto, K.1
Higashimura, K.2
Asada, T.3
-
68
-
-
0000768744
-
-
Searls, B. L.; Peters, J. M.; Sanadi, D. R. J. Biol. Chem. 1961, 236, 2317.
-
(1961)
J. Biol. Chem.
, vol.236
, pp. 2317
-
-
Searls, B.L.1
Peters, J.M.2
Sanadi, D.R.3
-
69
-
-
0040142826
-
-
Eades, R. A.; Scanion, K.; Ellenber, M. R.; Dixon, D. A. J. Phys. Chem. 1980, 84, 2840.
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 2840
-
-
Eades, R.A.1
Scanion, K.2
Ellenber, M.R.3
Dixon, D.A.4
-
70
-
-
2442681464
-
-
note
-
Supporting Information available. Mulliken and AIM charge (those in the parentheses) distributions of the gly-H-xx system with various charges obtained at the B3LYP/6-31++G** level are listed in Table S1.
-
-
-
-
71
-
-
2442647508
-
-
Bader, R. F. W. Oxford University Press: Oxford, 1990
-
Bader, R. F. W. Oxford University Press: Oxford, 1990.
-
-
-
-
72
-
-
0001645166
-
-
(a) Cioslowski, J.; Nanayakkara, A.; Challacombe, M. Chem. Phys. Lett. 1993, 203, 137.
-
(1993)
Chem. Phys. Lett.
, vol.203
, pp. 137
-
-
Cioslowski, J.1
Nanayakkara, A.2
Challacombe, M.3
-
80
-
-
0001649561
-
-
Desfrancois, C.; Abdoul-Carime, H.; Khelifa, N.; Scherman, J. P.; Bremmer, V.; Millie, P. J. Chem. Phys. 1995, 102, 4952.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4952
-
-
Desfrancois, C.1
Abdoul-Carime, H.2
Khelifa, N.3
Scherman, J.P.4
Bremmer, V.5
Millie, P.6
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