-
1
-
-
39049149631
-
-
A. Fiethen, G. Jansen, A. Hesselmann, M. Schütz, J. Am. Chem. Soc. 2008, 130, 1802-1803.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 1802-1803
-
-
Fiethen, A.1
Jansen, G.2
Hesselmann, A.3
Schütz, M.4
-
2
-
-
38649139343
-
-
V. R. Cooper, T. Thonhauser, A. Puzder, E. Schröder, B. I. Lundqvist, D. C. Langreth, J. Am. Chem. Soc. 2008, 130, 1304-1308.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 1304-1308
-
-
Cooper, V.R.1
Thonhauser, T.2
Puzder, A.3
Schröder, E.4
Lundqvist, B.I.5
Langreth, D.C.6
-
3
-
-
3042697894
-
-
O. V. Shishkin, M. Elstner, T. Fraunheim, S. Suhai, Int. J. Mol. Sci. 2003, 4, 537-547.
-
(2003)
Int. J. Mol. Sci.
, vol.4
, pp. 537-547
-
-
Shishkin, O.V.1
Elstner, M.2
Fraunheim, T.3
Suhai, S.4
-
5
-
-
68949112229
-
-
T. Matsui, T. Sato, Y. Shigeta, K. Hirao, Chem. Phys. Lett. 2009, 478, 238-242.
-
(2009)
Chem. Phys. Lett.
, vol.478
, pp. 238-242
-
-
Matsui, T.1
Sato, T.2
Shigeta, Y.3
Hirao, K.4
-
6
-
-
67649757065
-
-
T. Matsui, T. Sato, Y. Shigeta, Int. J. Quantum Chem. 2009, 109, 2168-2177.
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 2168-2177
-
-
Matsui, T.1
Sato, T.2
Shigeta, Y.3
-
9
-
-
0028931709
-
-
A. A. Gorin, V. B. Zhurkin, W. K. Olson, J. Mol. Biol. 1995, 247, 34-48.
-
(1995)
J. Mol. Biol.
, vol.247
, pp. 34-48
-
-
Gorin, A.A.1
Zhurkin, V.B.2
Olson, W.K.3
-
10
-
-
0032530555
-
-
W. K. Olson, A. A. Gorin, X.-J. Lu, L. M. Hock, V. B. Zhurkin, Proc. Natl. Acad. Sci. USA 1998, 95, 11163-11168.
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 11163-11168
-
-
Olson, W.K.1
Gorin, A.A.2
Lu, X.-J.3
Hock, L.M.4
Zhurkin, V.B.5
-
12
-
-
35048835853
-
-
M. N. Manalo, L. M. Pérez, A. LiWang, J. Am. Chem. Soc. 2007, 129, 11298-11299.
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 11298-11299
-
-
Manalo, M.N.1
Pérez, L.M.2
Liwang, A.3
-
13
-
-
33646548238
-
-
T. Matsui, Y. Shigeta, K. Hirao, Chem. Phys. Lett. 2006, 423, 331-334.
-
(2006)
Chem. Phys. Lett.
, vol.423
, pp. 331-334
-
-
Matsui, T.1
Shigeta, Y.2
Hirao, K.3
-
15
-
-
84865480883
-
-
J. P. Cerõn-Carrasco, D. Jacquemin, E. Cauët, Phys. Chem. Chem. Phys. 2012, 14, 12457-12464.
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 12457-12464
-
-
Cerõn-Carrasco, J.P.1
Jacquemin, D.2
Cauët, E.3
-
16
-
-
70350625170
-
-
H. Y. Chen, C. L. Kao, S. C. N. Hsu, J. Am. Chem. Soc. 2009, 131, 15930-15938.
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 15930-15938
-
-
Chen, H.Y.1
Kao, C.L.2
Hsu, S.C.N.3
-
17
-
-
79551616351
-
-
H.-Y. Chen, S.-W. Yeh, S. C. N. Hsu, C.-L. Kao, T.-Y. Dong, Phys. Chem. Chem. Phys. 2011, 13, 2674-2681.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 2674-2681
-
-
Chen, H.-Y.1
Yeh, S.-W.2
Hsu, S.C.N.3
Kao, C.-L.4
Dong, T.-Y.5
-
19
-
-
77955336635
-
-
C. Acosta-Silva, V. Branchadell, J. Bertran, A. Oliva, J. Phys. Chem. B 2010, 114, 10217-10227.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 10217-10227
-
-
Acosta-Silva, C.1
Branchadell, V.2
Bertran, J.3
Oliva, A.4
-
21
-
-
12344332502
-
-
N. Shimizu, S. Kawano, M. Tachikawa, J. Mol. Struct. 2005, 735-736, 243-248.
-
(2005)
J. Mol. Struct.
, vol.735-736
, pp. 243-248
-
-
Shimizu, N.1
Kawano, S.2
Tachikawa, M.3
-
22
-
-
14344256924
-
-
N. Kurita, V. I. Danilov, V. M. Anisimov, Chem. Phys. Lett. 2005, 404, 164-170.
-
(2005)
Chem. Phys. Lett.
, vol.404
, pp. 164-170
-
-
Kurita, N.1
Danilov, V.I.2
Anisimov, V.M.3
-
23
-
-
0027977295
-
-
J. Florián, V. Hrounda, P. Hobza, J. Am. Chem. Soc. 1994, 116, 1457-1460.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1457-1460
-
-
Florián, J.1
Hrounda, V.2
Hobza, P.3
-
24
-
-
34250373753
-
-
H. Xie, F. Xia, Z. Cao, J. Phys. Chem. A 2007, 111, 4384-4390.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 4384-4390
-
-
Xie, H.1
Xia, F.2
Cao, Z.3
-
25
-
-
33746915664
-
-
S. Perun, A. L. Sobolewski, W. Domcke, J. Phys. Chem. A 2006, 110, 9031-9038.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 9031-9038
-
-
Perun, S.1
Sobolewski, A.L.2
Domcke, W.3
-
26
-
-
34547333709
-
-
M. Noguera, M. Sodupe, J. Bertrán, Theor. Chem. Acc. 2007, 118, 113-121.
-
(2007)
Theor. Chem. Acc.
, vol.118
, pp. 113-121
-
-
Noguera, M.1
Sodupe, M.2
Bertrán, J.3
-
27
-
-
67649852648
-
-
J. P. Cerõn-Carrasco, A. Requena, C. Michaux, E. A. Perpète, D. Jacquemin, J. Phys. Chem. A 2009, 113, 7892-7898.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7892-7898
-
-
Cerõn-Carrasco, J.P.1
Requena, A.2
Michaux, C.3
Perpète, E.A.4
Jacquemin, D.5
-
28
-
-
3242875871
-
-
P. Mignon, S. Loverix, F. De Proft, P. Geerlings, J. Phys. Chem. A 2004, 108, 6038-6044.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 6038-6044
-
-
Mignon, P.1
Loverix, S.2
De Proft, F.3
Geerlings, P.4
-
29
-
-
10644297502
-
-
P. Mignon, S. Loverix, P. Geerlings, Chem. Phys. Lett. 2005, 401, 40-46.
-
(2005)
Chem. Phys. Lett.
, vol.401
, pp. 40-46
-
-
Mignon, P.1
Loverix, S.2
Geerlings, P.3
-
30
-
-
18244406013
-
-
A. Olasz, P. Mignon, F. De Proft, T. Veszprémi, P. Geerlings, Chem. Phys. Lett. 2005, 407, 504-509.
-
(2005)
Chem. Phys. Lett.
, vol.407
, pp. 504-509
-
-
Olasz, A.1
Mignon, P.2
De Proft, F.3
Veszprémi, T.4
Geerlings, P.5
-
31
-
-
15944379585
-
-
P. Mignon, S. Loverix, J. Steyaert, P. Geerlings, Nucleic Acids Res. 2005, 33, 1779-1789.
-
(2005)
Nucleic Acids Res.
, vol.33
, pp. 1779-1789
-
-
Mignon, P.1
Loverix, S.2
Steyaert, J.3
Geerlings, P.4
-
32
-
-
33846316742
-
-
K. Vanommeslaeghe, P. Mignon, S. Loverix, D. Tourwé, P. Geerlings, J. Chem. Theory Comput. 2006, 2, 1444-1452.
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 1444-1452
-
-
Vanommeslaeghe, K.1
Mignon, P.2
Loverix, S.3
Tourwé, D.4
Geerlings, P.5
-
33
-
-
65249144034
-
-
A. Gil, V. Branchadell, J. Bertran, A. Oliva, J. Phys. Chem. B 2009, 113, 4907-4914.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 4907-4914
-
-
Gil, A.1
Branchadell, V.2
Bertran, J.3
Oliva, A.4
-
35
-
-
75649121122
-
-
D. Svozil, P. Hobza, J. Šponer, J. Phys. Chem. B 2010, 114, 1191-1203.
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 1191-1203
-
-
Svozil, D.1
Hobza, P.2
Šponer, J.3
-
36
-
-
0034672031
-
-
J. Šponer, J. Florián, H.-L. Ng, J. E. Šponer, N. Špacková, Nucleic Acids Res. 2000, 28, 4893-4902.
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. 4893-4902
-
-
Šponer, J.1
Florián, J.2
Ng, H.-L.3
Šponer, J.E.4
Špacková, N.5
-
37
-
-
80051701712
-
-
J. P. Cerõn-Carrasco, J. Zúňiga, A. Requena, E. A. Perpète, C. Michaux, D. Jacquemin, Phys. Chem. Chem. Phys. 2011, 13, 14584-14589.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 14584-14589
-
-
Cerõn-Carrasco, J.P.1
Zúňiga, J.2
Requena, A.3
Perpète, E.A.4
Michaux, C.5
Jacquemin, D.6
-
38
-
-
33748931464
-
-
J. Gu, Y. Xie, H. F. Schaefer III, ChemPhysChem 2006, 7, 1885-1887.
-
(2006)
ChemPhysChem
, vol.7
, pp. 1885-1887
-
-
Gu, J.1
Xie, Y.2
Schaefer III, H.F.3
-
39
-
-
38449095486
-
-
J. Gu, Y. Xie, H. F. Schaefer III, J. Chem. Phys. 2007, 127, 155107.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 155107
-
-
Gu, J.1
Xie, Y.2
Schaefer III, H.F.3
-
46
-
-
75749083809
-
-
Gaussian, Inc., Wallingford, CT
-
Gaussian 09 (Revision A.1), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, D. J. Fox, Gaussian, Inc., Wallingford, CT, 2009.
-
(2009)
Gaussian 09 (Revision A.1)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery Jr., J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.L.61
Morokuma, K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
50
-
-
33746049822
-
-
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
-
-
Van Der Wijst, T.1
Fonseca Guerra, C.2
Swart, M.3
Bickelhaupt, F.M.4
-
51
-
-
78651370627
-
-
K. S. Thanthiriwatte, E. G. Hohenstein, L. A. Burns, C. D. Sherrill, J. Chem. Theory Comput. 2011, 7, 88-96.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 88-96
-
-
Thanthiriwatte, K.S.1
Hohenstein, E.G.2
Burns, L.A.3
Sherrill, C.D.4
-
52
-
-
84857891576
-
-
J. P. Cerõn-Carrasco, A. Requena, D. Jacquemin, Theor. Chem. Acc. 2012, 131, 1188-1196.
-
(2012)
Theor. Chem. Acc.
, vol.131
, pp. 1188-1196
-
-
Cerõn-Carrasco, J.P.1
Requena, A.2
Jacquemin, D.3
-
53
-
-
84856490940
-
-
C. Dupont, C. Patel, E. Dumont, J. Phys. Chem. B 2011, 115, 15138-15144.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 15138-15144
-
-
Dupont, C.1
Patel, C.2
Dumont, E.3
-
55
-
-
0001554001
-
-
C. Alhambra, F. J. Luque, F. Gago, M. Orozco, J. Phys. Chem. B 1997, 101, 3846-3853.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 3846-3853
-
-
Alhambra, C.1
Luque, F.J.2
Gago, F.3
Orozco, M.4
-
57
-
-
0029023343
-
-
M. Bansal, D. Bhattacharyya, B. Ravi, Comput. Appl. Biosci. 1995, 11, 281-287.
-
(1995)
Comput. Appl. Biosci.
, vol.11
, pp. 281-287
-
-
Bansal, M.1
Bhattacharyya, D.2
Ravi, B.3
-
59
-
-
0345983583
-
-
(Eds.: N. B. Leontis, J. SantaLucia), American Chemical Society, Washington DC
-
T. Macke, D. A. Case, Modeling unusual nucleic acid structures in Molecular Modeling of Nucleic Acids (Eds.:, N. B. Leontis, J. SantaLucia,), American Chemical Society, Washington DC, 1998, pp. 379-393.
-
(1998)
Modeling Unusual Nucleic Acid Structures in Molecular Modeling of Nucleic Acids
, pp. 379-393
-
-
MacKe, T.1
Case, D.A.2
-
61
-
-
43449107949
-
-
P. Cysewski, Z. Czyznikowska, R. Zaleśny, P. Czeleń, Phys. Chem. Chem. Phys. 2008, 10, 2665-2672.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 2665-2672
-
-
Cysewski, P.1
Czyznikowska, Z.2
Zaleśny, R.3
Czeleń, P.4
-
63
-
-
33645326510
-
-
J. Šponer, P. Jurecka, I. Marchan, F. J. Luque, M. Orozco, P. Hobza, Chem. Eur. J. 2006, 12, 2854-2865.
-
(2006)
Chem. Eur. J.
, vol.12
, pp. 2854-2865
-
-
Šponer, J.1
Jurecka, P.2
Marchan, I.3
Luque, F.J.4
Orozco, M.5
Hobza, P.6
-
65
-
-
34648814018
-
-
K. M. Langner, W. A. Sokalski, J. Leszczynski, J. Chem. Phys. 2007, 127, 111102.
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 111102
-
-
Langner, K.M.1
Sokalski, W.A.2
Leszczynski, J.3
-
67
-
-
0242290881
-
-
F. Lankaš, J. Šponer, J. Langowski, T. E. Cheatham III, Biophys. J. 2003, 85, 2872-2883.
-
(2003)
Biophys. J.
, vol.85
, pp. 2872-2883
-
-
Lankaš, F.1
Šponer, J.2
Langowski, J.3
Cheatham III, T.E.4
|