-
1
-
-
0003803285
-
-
University Science Books, Sausalito
-
a) V. A. Bloomfield, D. M. Crothers, I. Tinoco, Jr., Nucleic Acids: Structures, Properties, and Functions, University Science Books, Sausalito, 2000, pp. 475-534;
-
(2000)
Nucleic Acids Structures, Properties, and Functions
, pp. 475-534
-
-
Bloomfield, V.A.1
Crothers, D.M.2
Tinoco Jr., I.3
-
4
-
-
77955003137
-
-
b) K. E. Riley, M. Pitonak, P. Jurecka, P. Hobza, Chem. Rev. 2010, 110, 5023-5063;
-
(2010)
Chem. Rev
, vol.110
, pp. 5023-5063
-
-
Riley, K.E.1
Pitonak, M.2
Jurecka, P.3
Hobza, P.4
-
8
-
-
0033523692
-
-
Angew. Chem. Int. Ed. 1999, 38, 2942-2945;
-
(1999)
Angew. Chem. Int. Ed
, vol.38
, pp. 2942-2945
-
-
-
9
-
-
0034600253
-
-
b) C. Fonseca Guerra, F. M. Bickelhaupt, J. G. Snijders, E. J. Baerends, J. Am. Chem. Soc. 2000, 122, 4117-4128;
-
(2000)
J. Am. Chem. Soc
, vol.122
, pp. 4117-4128
-
-
Fonseca Guerra, C.1
Bickelhaupt, F.M.2
Snijders, J.G.3
Baerends, E.J.4
-
10
-
-
11244321707
-
-
c) M. Swart, C. Fonseca Guerra, F. M. Bickelhaupt, J. Am. Chem. Soc. 2004, 126, 16718-16719;
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 16718-16719
-
-
Swart, M.1
Fonseca Guerra, C.2
Bickelhaupt, F.M.3
-
11
-
-
33746049822
-
-
d) T. van der Wijst, C. Fonseca Guerra, M. Swart, F. M. Bickelhaupt, Chem. Phys. Lett. 2006, 426, 415-421;
-
(2006)
Chem. Phys. Lett
, vol.426
, pp. 415-421
-
-
Wijst Der T.Van1
Fonseca Guerra, C.2
Swart, M.3
Bickelhaupt, F.M.4
-
13
-
-
73349099953
-
-
f) T. van der Wijst, C. Fonseca Guerra, M. Swart, F. M. Bickelhaupt, B. Lippert, Angew. Chem. 2009, 121, 3335-3337;
-
(2009)
Angew. Chem
, vol.121
, pp. 3335-3337
-
-
Wijst Der T.Van1
Fonseca Guerra, C.2
Swart, M.3
Bickelhaupt, F.M.4
Lippert, B.5
-
14
-
-
70349928949
-
-
Angew. Chem. Int. Ed. 2009, 48, 3285-3287;
-
(2009)
Angew. Chem. Int. Ed
, vol.48
, pp. 3285-3287
-
-
-
15
-
-
77949272775
-
-
g) C. Fonseca Guerra, T. van der Wijst, J. Poater, M. Swart, F. M. Bickelhaupt, Theor. Chem. Acc. 2010, 125, 245-252;
-
(2010)
Theor. Chem. Acc
, vol.125
, pp. 245-252
-
-
Fonseca Guerra, C.1
Wijst Der T.Van2
Poater, J.3
Swart, M.4
Bickelhaupt, F.M.5
-
16
-
-
80054901924
-
-
h) C. Fonseca Guerra, H. Zijlstra, G. Paragi, F. M. Bickelhaupt, Chem. Eur. J. 2011, 17, 12612-12622.
-
(2011)
Chem. Eur. J
, vol.17
, pp. 12612-12622
-
-
Fonseca Guerra, C.1
Zijlstra, H.2
Paragi, G.3
Bickelhaupt, F.M.4
-
22
-
-
79959421490
-
-
a) J. Poater, M. Swart, C. Fonseca Guerra, F. M. Bickelhaupt, Chem. Commun. 2011, 47, 7326-7328;
-
(2011)
Chem. Commun
, vol.47
, pp. 7326-7328
-
-
Poater, J.1
Swart, M.2
Fonseca Guerra, C.3
Bickelhaupt, F.M.4
-
23
-
-
75649121122
-
-
b) D. Svozil, P. Hobza, J. Sponer, J. Phys. Chem. B 2010, 114, 1191-1203.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 1191-1203
-
-
Svozil, D.1
Hobza, P.2
Sponer, J.3
-
27
-
-
84876183112
-
-
a) A. Spinello, A. Terenzi, G. Barone, J. Inorg. Biochem. 2013, 124, 63-69;
-
(2013)
J. Inorg. Biochem
, vol.124
, pp. 63-69
-
-
Spinello, A.1
Terenzi, A.2
Barone, G.3
-
28
-
-
77955092017
-
-
b) D. Ambrosek, P.-F. Loos, X. Assfeld, C. Daniel, J. Inorg. Biochem. 2010, 104, 893-901;
-
(2010)
J. Inorg. Biochem
, vol.104
, pp. 893-901
-
-
Ambrosek, D.1
Loos, P.-F.2
Assfeld, X.3
Daniel, C.4
-
30
-
-
47949103740
-
-
d) G. Barone, C. Fonseca Guerra, N. Gambino, A. Silvestri, A. Lauria, A. M. Almerico, F. M. Bickelhaupt, J. Biomol. Struct. Dyn. 2008, 26, 115-129.
-
(2008)
J. Biomol. Struct. Dyn
, vol.26
, pp. 115-129
-
-
Barone, G.1
Fonseca Guerra, C.2
Gambino, N.3
Silvestri, A.4
Lauria, A.5
Almerico, A.M.6
Bickelhaupt, F.M.7
-
31
-
-
7944235964
-
-
Vrije Universiteit, Amsterdam, The Netherlands
-
a) ADF2008.01-2010.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, E. J. Baerends, J. Autschbach, A. Bérces, F. M. Bickelhaupt, C. Bo, P. M. Boerrigter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, M. van Faassen, L. Fan, T. H. Fischer, C. Fonseca Guerra, S. J. A. van Gisbergen, A. W. Gçtz, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, C. R. Jacob, H. Jacobsen, L. Jensen, G. van Kessel, F. Kootstra, M. V. Krykunov, E. van Lenthe, D. A. McCormack, A. Michalak, J. Neugebauer, V. P. Nicu, V. P. Osinga, S. Patchkovskii, P. H. T. Philipsen, D. Post, C. C. Pye, W. Ravenek, J. I. Rodriguez, P. Ros, P. R. T. Schipper, G. Schreckenbach, J. G. Snijders, M. Solà, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, L. Visscher, O. Visser, F. Wang, T. A. Wesolowski, E. M. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, A. L. Yakovlev, T. Ziegler;
-
ADF2008.01-2010.01, SCM, Theoretical Chemistry
-
-
Baerends, E.J.1
Autschbach, J.2
Bérces, A.3
Bickelhaupt, F.M.4
Bo, C.5
Boerrigter, P.M.6
Cavallo, L.7
Chong, D.P.8
Deng, L.9
Dickson, R.M.10
Ellis, D.E.11
Van Faassen, M.12
Fan, L.13
Fischer, T.H.14
Fonseca Guerra, C.15
Van Gisbergen, S.J.A.16
Gçtz, A.W.17
Groeneveld, J.A.18
Gritsenko, O.V.19
Grüning, M.20
Harris, F.E.21
Hoek Den P.Van22
Jacob, C.R.23
Jacobsen, H.24
Jensen, L.25
Van Kessel, G.26
Kootstra, F.27
Krykunov, M.V.28
Van Lenthe, E.29
McCormack, D.A.30
Michalak, A.31
Neugebauer, J.32
Nicu, V.P.33
Osinga, V.P.34
Patchkovskii, S.35
Philipsen, P.H.T.36
Post, D.37
Pye, C.C.38
Ravenek, W.39
Rodriguez, J.I.40
Ros, P.41
Schipper, P.R.T.42
Schreckenbach, G.43
Snijders, J.G.44
Solà, M.45
Swart, M.46
Swerhone, D.47
Te Velde, G.48
Vernooijs, P.49
Versluis, L.50
Visscher, L.51
Visser, O.52
Wang, F.53
Wesolowski, T.A.54
Van Wezenbeek, E.M.55
Wiesenekker, G.56
Wolff, S.K.57
Woo, T.K.58
Yakovlev, A.L.59
Ziegler, T.60
more..
-
32
-
-
84894518774
-
-
b) http://www.scm.com.
-
-
-
-
33
-
-
20644438873
-
-
a) G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931;
-
(2001)
J. Comput. Chem
, vol.22
, pp. 931
-
-
Velde, F.1
Bickelhaupt, M.2
Baerends, E.J.3
Fonseca Guerra, C.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
34
-
-
0038023343
-
-
b) E. J. Baerends, D. E. Ellis, P. Ros, Chem. Phys. 1973, 2, 41;
-
(1973)
Chem. Phys
, vol.2
, pp. 41
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
35
-
-
0032221816
-
-
c) C. Fonseca Guerra, J. G. Snijders, G. te Velde, E. J. Baerends, Theor. Chem. Acc. 1998, 99, 391;
-
(1998)
Theor. Chem. Acc
, vol.99
, pp. 391
-
-
Fonseca Guerra, C.1
Snijders, J.G.2
Velde, E.3
Baerends, J.4
-
36
-
-
0034373424
-
-
K. B. Lipkowitz, D. B. Boyd, Eds.; Wiley-VCH: New York
-
d) F. M. Bickelhaupt, E. J. Baerends, In: Reviews in Computational Chemistry; K. B. Lipkowitz, D. B. Boyd, Eds.; Wiley-VCH: New York, 2000, Vol. 15, pp. 1-86.
-
(2000)
Reviews in Computational Chemistry
, vol.15
, pp. 1-86
-
-
Bickelhaupt, F.M.1
Baerends, E.J.2
-
40
-
-
0345491105
-
-
C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
43
-
-
0035932162
-
-
c) M. Elstner, P. Hobza, T. Frauenheim, S. Suhai, E. Kaxiras, J. Chem. Phys. 2001, 114, 5149;
-
(2001)
J. Chem. Phys
, vol.114
, pp. 5149
-
-
Elstner, M.1
Hobza, P.2
Frauenheim, T.3
Suhai, S.4
Kaxiras, E.5
-
44
-
-
0035891306
-
-
d) X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, G. Scoles, J. Chem. Phys. 2001, 115, 8748;
-
(2001)
J. Chem. Phys
, vol.115
, pp. 8748
-
-
Wu, X.1
Vargas, M.C.2
Nayak, S.3
Lotrich, V.4
Scoles, G.5
-
46
-
-
1542396762
-
-
f) U. Zimmerli, M. Parrinello, P. Koumoutsakos, J. Chem. Phys. 2004, 120, 2693.
-
(2004)
J. Chem. Phys
, vol.120
, pp. 2693
-
-
Zimmerli, U.1
Parrinello, M.2
Koumoutsakos, P.3
-
47
-
-
84894538938
-
-
Last accessed: April 25 2013
-
J. W. Ponder, TINKER computer code, http://dasher.wustl.edu/tinker/ (Last accessed: April 25, 2013).
-
TINKER Computer Code
-
-
Ponder, J.W.1
-
52
-
-
35448934962
-
-
K. E. Riley, J. Vondrasek, P. Hobza, Phys. Chem. Chem. Phys. 2007, 9, 5555.
-
(2007)
Phys. Chem. Chem. Phys
, vol.9
, pp. 5555
-
-
Riley, K.E.1
Vondrasek, J.2
Hobza, P.3
-
53
-
-
0031195002
-
-
B. Schneider, S. Neidle, H. M. Berman, Biopolymers 1997, 42, 113-124.
-
(1997)
Biopolymers
, vol.42
, pp. 113-124
-
-
Schneider, B.1
Neidle, S.2
Berman, H.M.3
-
54
-
-
84894542520
-
-
Brooks Cole, Belmont
-
See, for example: M. K. Campbell, S. O. Farrell, Biochemistry 7th ed., Brooks Cole, Belmont, 2011, pp. 323-354.
-
(2011)
Biochemistry 7th Ed
, pp. 323-354
-
-
Campbell, M.K.1
Farrell, S.O.2
|