-
3
-
-
0022424620
-
-
Frier, S. M.; Alkema, D.; Sinclair, A.; Neilson, T.; Turner, D. H. Biochemistry 1985, 24, 4533.
-
(1985)
Biochemistry
, vol.24
, pp. 4533
-
-
Frier, S.M.1
Alkema, D.2
Sinclair, A.3
Neilson, T.4
Turner, D.H.5
-
4
-
-
0023040892
-
-
Frier, C.; Kierzek, R.; Caruthers, M. H.; Neilson, T. Biochemistry 1986, 25, 3209.
-
(1986)
Biochemistry
, vol.25
, pp. 3209
-
-
Frier, C.1
Kierzek, R.2
Caruthers, M.H.3
Neilson, T.4
-
5
-
-
0023040885
-
-
Frier, D.; Sugimoto, S. M.; Sinclair, A.; Alkema, D.; Noeilson, T.; Kierzek, R.; Caruthers, M. H.; Turner, D. H. Biochemistry 1986, 25, 3214.
-
(1986)
Biochemistry
, vol.25
, pp. 3214
-
-
Frier, D.1
Sugimoto, S.M.2
Sinclair, A.3
Alkema, D.4
Noeilson, T.5
Kierzek, R.6
Caruthers, M.H.7
Turner, D.H.8
-
8
-
-
84990631999
-
-
(b) Poltev, V. I.; Teplukhin, A. V.; Malenkov, G. G. Biochemistry 1992, 42, 1499.
-
(1992)
Biochemistry
, vol.42
, pp. 1499
-
-
Poltev, V.I.1
Teplukhin, A.V.2
Malenkov, G.G.3
-
9
-
-
0026896780
-
-
(c) Schneider, B.; Cohen, D.; Berman, H. M. Biopolymers 1992, 32, 725.
-
(1992)
Biopolymers
, vol.32
, pp. 725
-
-
Schneider, B.1
Cohen, D.2
Berman, H.M.3
-
11
-
-
0018471205
-
-
(b) Yanson, B.; Teplitsky, I. K.; Sukhodub, L. F. Biopolymers 1979, 18, 1149.
-
(1979)
Biopolymers
, vol.18
, pp. 1149
-
-
Yanson, B.1
Teplitsky, I.K.2
Sukhodub, L.F.3
-
12
-
-
0014054153
-
-
(a) Kyogoku, Y.; Lord, R. C.; Rieh, A. J. Am. Chem. Soc. 1967, 89, 496.
-
(1967)
J. Am. Chem. Soc.
, vol.89
, pp. 496
-
-
Kyogoku, Y.1
Lord, R.C.2
Rieh, A.3
-
13
-
-
0014413363
-
-
(b) Schweizer, D M. P.; Broom, A. D.; Ts'O, P. O. P.; Hollis D. P. J. Am. Chem. Soc. 1968, 90, 1042.
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 1042
-
-
Schweizer, D.M.P.1
Broom, A.D.2
Ts'O, P.O.P.3
Hollis, D.P.4
-
15
-
-
0007178630
-
-
(a) Langlet, J.; Claverie, P.; Caron, F.; Boenve, J. C. Int. J. Quantum Chem. 1981, 19, 229.
-
(1981)
Int. J. Quantum Chem.
, vol.19
, pp. 229
-
-
Langlet, J.1
Claverie, P.2
Caron, F.3
Boenve, J.C.4
-
18
-
-
0021345825
-
-
Pohorille, A.; Burt, S. K.; MacKlroy, R. D. J. Am. Chem. Soc. 1984, 106, 402.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 402
-
-
Pohorille, A.1
Burt, S.K.2
MacKlroy, R.D.3
-
19
-
-
84988053694
-
-
(e) Weiner, S. J.; Kollman, P. A.; Nguygen, D.; Case, D. A. J. Comput. Chem. 1986, 7, 230.
-
(1986)
J. Comput. Chem.
, vol.7
, pp. 230
-
-
Weiner, S.J.1
Kollman, P.A.2
Nguygen, D.3
Case, D.A.4
-
20
-
-
0033749539
-
-
(a) Sivanesan, D.; Subramanian, V.; Nair, B. U.; Ramasami, T. Indian J. Chem. 2000, 39A, 132.
-
(2000)
Indian J. Chem.
, vol.39
, pp. 132
-
-
Sivanesan, D.1
Subramanian, V.2
Nair, B.U.3
Ramasami, T.4
-
21
-
-
0011824888
-
-
and references therein.
-
(b) Sponer, J.; Leszczynski, J.; Hobza, P. J. Phys. Chem. 1996, 100, 1965 and references therein.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 1965
-
-
Sponer, J.1
Leszczynski, J.2
Hobza, P.3
-
22
-
-
0001678824
-
-
(c) Brameld, K.; Dasgupta, S.; Goddard, W. A. J. Phys. Chem. B 1997, 101, 4851.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 4851
-
-
Brameld, K.1
Dasgupta, S.2
Goddard, W.A.3
-
25
-
-
0342778362
-
-
Beveridge, D. L., Lavery, R., Eds.; Adenine Press: Guilderland, NY
-
(b) Sponer, J.; Kypr, J. In Theoretical Biochemistry & Molecular Biophysics; Beveridge, D. L., Lavery, R., Eds.; Adenine Press: Guilderland, NY, 1990; p 271.
-
(1990)
Theoretical Biochemistry & Molecular Biophysics
, pp. 271
-
-
Sponer, J.1
Kypr, J.2
-
28
-
-
0001828655
-
-
Leszczynski, J., Ed.; World Scientific Publisher: Singapore
-
(b) Sponer, J.; Hobza, P.; Leszczyski, J.; In Computional Chemistry, Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific Publisher: Singapore, 1996; p 185.
-
(1996)
Computional Chemistry, Reviews of Current Trends
, pp. 185
-
-
Sponer, J.1
Hobza, P.2
Leszczyski, J.3
-
29
-
-
0000388278
-
-
Beveridge, D. L., Lavery, R., Eds.; Adenine Press: Guilderland, NY
-
(c). Kwiatkowski, J. S.; Pearson, W. B. In Theoretical Biochemistry and Molecular Biophysiscs; Beveridge, D. L., Lavery, R., Eds.; Adenine Press: Guilderland, NY, 1990; Vol. 1, p 153.
-
(1990)
Theoretical Biochemistry and Molecular Biophysiscs
, vol.1
, pp. 153
-
-
Kwiatkowski, J.S.1
Pearson, W.B.2
-
30
-
-
0004123611
-
-
Rapport, Z., Ed. Wiley: New York
-
Rapport, Z., Ed. The Chemistry of Enols; Wiley: New York, 1990.
-
(1990)
The Chemistry of Enols
-
-
-
34
-
-
0026000848
-
-
(a) Holbrook, S. R.; Cheng, C.; Tinoco, I.; Kirn, S.H. Nature 1991, 353, 579.
-
(1991)
Nature
, vol.353
, pp. 579
-
-
Holbrook, S.R.1
Cheng, C.2
Tinoco, I.3
Kirn, S.H.4
-
35
-
-
0030856333
-
-
(b) Correll, C. C.; Freeborn, B.; Moore, P. B.; Steitz, T. A. Cell 1997, 91, 705.
-
(1997)
Cell
, vol.91
, pp. 705
-
-
Correll, C.C.1
Freeborn, B.2
Moore, P.B.3
Steitz, T.A.4
-
36
-
-
0343979280
-
-
and references therein
-
Guerra, C. F.; Bickelhaupt, F. M. Angew. Chem., Int. Ed. Engl. 1999, 38, 2842 and references therein.
-
(1999)
Angew. Chem., Int. Ed. Engl.
, vol.38
, pp. 2842
-
-
Guerra, C.F.1
Bickelhaupt, F.M.2
-
38
-
-
0030541603
-
-
and references therein
-
(a) Sponer. J.; Hobza, P. Chem. Phys. 1996, 204, 365 and references therein.
-
(1996)
Chem. Phys.
, vol.204
, pp. 365
-
-
Sponer, J.1
Hobza, P.2
-
39
-
-
33645946462
-
-
(b) Shinoda, T.; Shima, N.;. Tsukada, M. J. Theor. Biol. 1991, 151, 4330.
-
(1991)
J. Theor. Biol.
, vol.151
, pp. 4330
-
-
Shinoda, T.1
Shima, N.2
Tsukada, M.3
-
40
-
-
0029167904
-
-
(c) Hobza, P.; Sponer, J.; Polasek, M. J. Am. Chem. Soc. 1995, 111, 792.
-
(1995)
J. Am. Chem. Soc.
, vol.111
, pp. 792
-
-
Hobza, P.1
Sponer, J.2
Polasek, M.3
-
41
-
-
0001249198
-
-
(d) Kurita, M.; Araki, K.; Nakao, K.; Kobayashi, K. Chem. Phys. Lett. 1999, 313, 693.
-
(1999)
Chem. Phys. Lett.
, vol.313
, pp. 693
-
-
Kurita, M.1
Araki, K.2
Nakao, K.3
Kobayashi, K.4
-
42
-
-
0001678824
-
-
(e) Brameld, K.; Dasgupta, S.; Goddard, W. A. J. Phys. Chem. B 1997, 101, 4851.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 4851
-
-
Brameld, K.1
Dasgupta, S.2
Goddard, W.A.3
-
44
-
-
0001442135
-
-
(g) Sambrano, J. R.; De Souza, A. R.; Queralt, J. J.; Andres, J. Chem. Phys. Lett. 2000, 377, 437.
-
(2000)
Chem. Phys. Lett.
, vol.377
, pp. 437
-
-
Sambrano, J.R.1
De Souza, A.R.2
Queralt, J.J.3
Andres, J.4
-
45
-
-
4243508412
-
-
(h) Morpurgo, S.; Bossa, M.; Morpurgo, G. O. Chem. Phys. Lett. 1997, 102, 10813.
-
(1997)
Chem. Phys. Lett.
, vol.102
, pp. 10813
-
-
Morpurgo, S.1
Bossa, M.2
Morpurgo, G.O.3
-
47
-
-
33748621478
-
-
(b) Sponer, J.; Leszczynski, J.; Hobza, P. J. Phys. Chem. 1996, 100, 5590.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 5590
-
-
Sponer, J.1
Leszczynski, J.2
Hobza, P.3
-
48
-
-
0029998770
-
-
(c) Sponer, J.; Leszczynski, J.; Vetterl, V.; Hobza, P. J. Biomol. Struct. Dyn. 1990, 13, 695.
-
(1990)
J. Biomol. Struct. Dyn.
, vol.13
, pp. 695
-
-
Sponer, J.1
Leszczynski, J.2
Vetterl, V.3
Hobza, P.4
-
51
-
-
0001225025
-
-
and references therein
-
(a) Sponer, J.; Leszczynski, J.; Hobza, P. J. Comput. Chem. 1996, 77, 841 and references therein.
-
(1996)
J. Comput. Chem.
, vol.77
, pp. 841
-
-
Sponer, J.1
Leszczynski, J.2
Hobza, P.3
-
52
-
-
0032568778
-
-
Subramanian, V.; Sivanesan, D.; Ramasami, T. Chem. Phys. Lett. 1998, 290, 189.
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 189
-
-
Subramanian, V.1
Sivanesan, D.2
Ramasami, T.3
-
55
-
-
0030015253
-
-
and references therein
-
(e) Colominas, C.; Luque, F. J.; Orozco, M. J. Am. Chem. Soc. 1996, 118, 6811 and references therein.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6811
-
-
Colominas, C.1
Luque, F.J.2
Orozco, M.3
-
56
-
-
0023985712
-
-
Berman, H. M.; Sown, A.; Ginell, S.; Beveridge, D. L. J. Biomol. Struct. Dyn. 1988, 5, 1101.
-
(1988)
J. Biomol. Struct. Dyn.
, vol.5
, pp. 1101
-
-
Berman, H.M.1
Sown, A.2
Ginell, S.3
Beveridge, D.L.4
-
58
-
-
3342936878
-
-
and see references therein
-
(a) Cramer, C. J.; Truhlar, D. G. Science 1992, 256, 213 and see references therein.
-
(1992)
Science
, vol.256
, pp. 213
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
60
-
-
33748650102
-
-
(c) Luque, F. J.; Zhang, Y.; Alemán, C.; Gao, J.; Orozco, M. J. Phys. Chem. 1996, 100, 4269.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 4269
-
-
Luque, F.J.1
Zhang, Y.2
Alemán, C.3
Gao, J.4
Orozco, M.5
-
61
-
-
1542356431
-
-
and references therein
-
(d) Foresman, J. B.; Keith, K. B.; Soonian, J.; Frisch, M. J. J. Phys. Chem. 1996, 100, 16098 and references therein.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16098
-
-
Foresman, J.B.1
Keith, K.B.2
Soonian, J.3
Frisch, M.J.4
-
62
-
-
0001442135
-
-
Sambrano, J. R.; De Souza, A. R.; Queralt, J. J.; Andres, J. Chem. Phys. Lett. 2000, 317, 437.
-
(2000)
Chem. Phys. Lett.
, vol.317
, pp. 437
-
-
Sambrano, J.R.1
De Souza, A.R.2
Queralt, J.J.3
Andres, J.4
-
63
-
-
0001686211
-
-
Claverie, P.; Daudey, J. P.; Langlet, J.; Pullman, B.; Piazzola, D. J. Phys. Chem. 1978, 82, 405.
-
(1978)
J. Phys. Chem.
, vol.82
, pp. 405
-
-
Claverie, P.1
Daudey, J.P.2
Langlet, J.3
Pullman, B.4
Piazzola, D.5
-
65
-
-
0029998770
-
-
(a) Spǒner, J.; Leszczynski, J.; Vetterl, V.; Hobza, P. J. Biomol. Struct. Dyn. 1996, 13, 695.
-
(1996)
J. Biomol. Struct. Dyn.
, vol.13
, pp. 695
-
-
Spǒner, J.1
Leszczynski, J.2
Vetterl, V.3
Hobza, P.4
-
66
-
-
0000630208
-
-
(b) Soliva, R.; Orozco, M.; Luque, F. J. J. Comput. Chem. 1997, 18, 980.
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 980
-
-
Soliva, R.1
Orozco, M.2
Luque, F.J.3
-
67
-
-
0025355312
-
-
(c) Anwander, E. H. S.; Probst, M. M.; Rode, B. M. Bioploymers 1990, 29, 757.
-
(1990)
Bioploymers
, vol.29
, pp. 757
-
-
Anwander, E.H.S.1
Probst, M.M.2
Rode, B.M.3
-
68
-
-
33748614588
-
-
and references therein.
-
(d) Burda, J. V.; Spǒner, J.; Hobza, P. J. Phys. Chem. 1996, 100, 7250 and references therein.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 7250
-
-
Burda, J.V.1
Spǒner, J.2
Hobza, P.3
-
69
-
-
0031274672
-
-
and references therein.
-
(e) Burda, J. V.; Sponer, J.; Leszczynski, J.; Hobza, P. J. Phys. Chem. B. 1997, 101, 9670 and references therein.
-
(1997)
J. Phys. Chem. B.
, vol.101
, pp. 9670
-
-
Burda, J.V.1
Sponer, J.2
Leszczynski, J.3
Hobza, P.4
-
70
-
-
77956689538
-
-
Murray, J. S., Sen, K. D., Eds.; Elsevier: Amsterdam, and references therein
-
(a) See for a summary of models: Gadre, S. R.; Bhadane, P. K.; Pundlik, S. S.; Pingale, S. S. In molecular electrostatic potentials: Concepts and applications; Murray, J. S., Sen, K. D., Eds.; Elsevier: Amsterdam, 1996; pp 219-255, and references therein.
-
(1996)
Molecular Electrostatic Potentials: Concepts and Applications
, pp. 219-255
-
-
Gadre, S.R.1
Bhadane, P.K.2
Pundlik, S.S.3
Pingale, S.S.4
-
76
-
-
0003926468
-
-
Maksic, Z. B., Ed.; Springer: New York
-
Tomasi, J.; Bonaccorsi, R.; Cammi, R. In Theoretical methods of chemical bonding; Maksic, Z. B., Ed.; Springer: New York, 1990; Vol. 3.
-
(1990)
Theoretical Methods of Chemical Bonding
, vol.3
-
-
Tomasi, J.1
Bonaccorsi, R.2
Cammi, R.3
-
77
-
-
0025754363
-
-
(a) Stewart, I. Sci. Am. 1991, 264, 123.
-
(1991)
Sci. Am.
, vol.264
, pp. 123
-
-
Stewart, I.1
-
78
-
-
0000491697
-
-
(b) Bader, R. F. W.; Nguyen, T. T.; Dang, Y. A. Phys. Rev. 1981, 44, 893.
-
(1981)
Phys. Rev.
, vol.44
, pp. 893
-
-
Bader, R.F.W.1
Nguyen, T.T.2
Dang, Y.A.3
-
79
-
-
4043086219
-
-
the package UNIPROP see for details.
-
Shirsat, R. N.; Bapat, S. V.; Gadre, S. R.; the package UNIPROP see for details. Chem. Phys. Lett. 1992, 200, 373.
-
(1992)
Chem. Phys. Lett.
, vol.200
, pp. 373
-
-
Shirsat, R.N.1
Bapat, S.V.2
Gadre, S.R.3
-
81
-
-
0342424099
-
UNIVIS: A visualization package
-
Limaye, A. C.; Inamdar, P. V.; Dattawadkar, S. M.; Gadre, S. R. UNIVIS: a visualization package. J. Mol. Graph. 1996, 14.
-
(1996)
J. Mol. Graph.
, pp. 14
-
-
Limaye, A.C.1
Inamdar, P.V.2
Dattawadkar, S.M.3
Gadre, S.R.4
-
82
-
-
0010922186
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stafanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Bingley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; HeadGordon, M.; Gonzalez; Pople, J. A. Gaussian94; Gaussian Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stafanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Bingley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
HeadGordon, M.33
Gonzalez34
Pople, J.A.35
more..
-
83
-
-
84893169025
-
-
The package GAMESS. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; together with Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Montgomery, J.A.12
|