-
1
-
-
33748586947
-
-
Bertini, I., Gray, H. B., Lippard, S. J., Valentine, J. S., Eds.; University Science Books: Mill Valley, CA
-
Lippard, S. J. In Bioinorganic Chemistry; Bertini, I., Gray, H. B., Lippard, S. J., Valentine, J. S., Eds.; University Science Books: Mill Valley, CA, 1994; p 564, and references therein.
-
(1994)
Bioinorganic Chemistry
, pp. 564
-
-
Lippard, S.J.1
-
2
-
-
0000258480
-
-
Bruhn, S. L.; Toney, J. H.; Lippard, S. J. Prog. Inorg. Chem. 1990, 38, 477.
-
(1990)
Prog. Inorg. Chem.
, vol.38
, pp. 477
-
-
Bruhn, S.L.1
Toney, J.H.2
Lippard, S.J.3
-
3
-
-
0029983287
-
-
Brabec, V.; Vrána, O.; Nováková, O.; Kleinwächter, V.; Intini, F. P.; Coluccia, M.; Natile, G. Nucleic Acids Res. 1996, 24, 336.
-
(1996)
Nucleic Acids Res.
, vol.24
, pp. 336
-
-
Brabec, V.1
Vrána, O.2
Nováková, O.3
Kleinwächter, V.4
Intini, F.P.5
Coluccia, M.6
Natile, G.7
-
4
-
-
0001340264
-
-
Krizanovic, O.; Sabat, M.; Beyerle-Pfnür, R.; Lippert, B. J. Am. Chem. Soc. 1993, 115, 5538.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5538
-
-
Krizanovic, O.1
Sabat, M.2
Beyerle-Pfnür, R.3
Lippert, B.4
-
6
-
-
33646971753
-
-
Schreiber, A.; Hillgeris, E. C.; Lippert, B. Z. Naturforsch. 1993, 48b, 1603.
-
(1993)
Z. Naturforsch.
, vol.48 B
, pp. 1603
-
-
Schreiber, A.1
Hillgeris, E.C.2
Lippert, B.3
-
11
-
-
0025319049
-
-
McCarthy, S. L.; Hinde, R. J.; Miller, K. J.; Anderson, J. S.; Basch, H.; Krauss, M. Biopolymers 1990, 29, 823.
-
(1990)
Biopolymers
, vol.29
, pp. 823
-
-
McCarthy, S.L.1
Hinde, R.J.2
Miller, K.J.3
Anderson, J.S.4
Basch, H.5
Krauss, M.6
-
12
-
-
0006105163
-
-
Krauss, M.; Basch, H.; Miller, K. J. Chem. Phys. Lett. 1988, 148, 577.
-
(1988)
Chem. Phys. Lett.
, vol.148
, pp. 577
-
-
Krauss, M.1
Basch, H.2
Miller, K.J.3
-
13
-
-
85033071744
-
-
In this formula, 1-methylthymine anion is abbreviated as 1-MeT, and 9-methylamine as 9-MeA
-
In this formula, 1-methylthymine anion is abbreviated as 1-MeT, and 9-methylamine as 9-MeA.
-
-
-
-
14
-
-
0002817123
-
-
Carloni, P.; Andreoni, W.; Hutter, J.; Curioni, A.; Giannozzi, P.; Parrinello, M. Chem. Phys. Lett. 1995, 234, 50.
-
(1995)
Chem. Phys. Lett.
, vol.234
, pp. 50
-
-
Carloni, P.1
Andreoni, W.2
Hutter, J.3
Curioni, A.4
Giannozzi, P.5
Parrinello, M.6
-
15
-
-
0001097584
-
-
Tomaghi, E.; Andreoni, W.; Carloni, P.; Hutter, J.; Parrinello, M. Chem. Phys. Lett. 1995, 246, 469.
-
(1995)
Chem. Phys. Lett.
, vol.246
, pp. 469
-
-
Tornaghi, E.1
Andreoni, W.2
Carloni, P.3
Hutter, J.4
Parrinello, M.5
-
17
-
-
5944261746
-
-
Erratum, Ibid. 1986, 34, 7406
-
Perdew, J. P. Phys. Rev. B 1986, 33, 8822. Erratum, Ibid. 1986, 34, 7406.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
20
-
-
0028392759
-
-
Hutter, J.; Lüthi, H. P.; Parrinello, M. Comp. Mater. Sci. 1994, 2, 244.
-
(1994)
Comp. Mater. Sci.
, vol.2
, pp. 244
-
-
Hutter, J.1
Lüthi, H.P.2
Parrinello, M.3
-
21
-
-
85033072144
-
-
For the perchlorate ion, one of the two observed orientations was chosen
-
For the perchlorate ion, one of the two observed orientations was chosen.
-
-
-
-
22
-
-
33748611013
-
-
Prive, G. G.; Yanasi, K.; Dickerson, R. E. J. Mol. Biol. 1991, 177, 217.
-
(1991)
J. Mol. Biol.
, vol.177
, pp. 217
-
-
Prive, G.G.1
Yanasi, K.2
Dickerson, R.E.3
-
23
-
-
84885539361
-
-
Clementi, E.; Mehl, J.; von Niessen, W. J. Chem. Phys. 1971, 54, 508.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 508
-
-
Clementi, E.1
Mehl, J.2
Von Niessen, W.3
-
25
-
-
84988058946
-
-
Aida, M. J. Comput. Chem. 1988, 9, 362 and references therein.
-
(1988)
J. Comput. Chem.
, vol.9
, pp. 362
-
-
Aida, M.1
-
26
-
-
0029167904
-
-
Hobza, P.; Sponer, J.; Polásek, M., J. Am. Chem. Soc. 1995, 117, 792.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 792
-
-
Hobza, P.1
Sponer, J.2
Polásek, M.3
-
29
-
-
33751390857
-
-
Colson, A. O.; Besler, B.; Sevilla, M. D. J. Phys. Chem. 1992, 96, 9787.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 9787
-
-
Colson, A.O.1
Besler, B.2
Sevilla, M.D.3
-
30
-
-
85033067108
-
-
A table comparing the experimental and calculated water H-bond network is available upon request
-
A table comparing the experimental and calculated water H-bond network is available upon request.
-
-
-
-
31
-
-
85033071905
-
-
note
-
The calculated N6A-OW1 and O4T-OW1 distances are 2.88 and 2.59 Å and deviate from experiment by +0.06 and -0.16 Å, respectively. This latter discrepancy may be surprising, in view of the good general agreement for the rest of the structure. It may be due to a combination of several factors, such as a possible limited accuracy of the BP scheme for hydrogen-bond distances and the neglect in our model of the positional disorder in the configuration of the neighboring waters and of the counterions.
-
-
-
-
32
-
-
0001545312
-
-
Carlin, R. L., Ed.; Dekker: New York
-
Gray, H. B. Transition Metal Chemistry; Carlin, R. L., Ed.; Dekker: New York, 1965; p 239.
-
(1965)
Transition Metal Chemistry
, pp. 239
-
-
Gray, H.B.1
|