-
1
-
-
67649774617
-
-
D. Coquière, A. de la Lande, S. Martí, O. Parisel, T. Prangé and O. Reinaud, Proc. Natl. Acad. Sci. USA 106, 10449 (2009).
-
(2009)
Proc. Natl. Acad. Sci. USA
, vol.106
, pp. 10449
-
-
Coquière, D.1
De La Lande, A.2
Martí, S.3
Parisel, O.4
Prangé, T.5
Reinaud, O.6
-
2
-
-
35948978080
-
-
T. Murata, Y. Morita, Y. Yakiyama, K. Fukui, H. Yamochi, G. Saito and K. Nakasuji, J. Am. Chem. Soc. 129, 10837 (2007).
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 10837
-
-
Murata, T.1
Morita, Y.2
Yakiyama, Y.3
Fukui, K.4
Yamochi, H.5
Saito, G.6
Nakasuji, K.7
-
6
-
-
51949118589
-
-
M. McCullagh, T. Prytkova, S. Tonzani, N.D. Winter and G.C. Schatz, J. Phys. Chem. B 112, 10388 (2008).
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 10388
-
-
McCullagh, M.1
Prytkova, T.2
Tonzani, S.3
Winter, N.D.4
Schatz, G.C.5
-
7
-
-
1642580684
-
-
Y. Feng, L. Liu, J.T. Wang, X.S. Li and Q.X. Guo, Chem. Comm. 40, 88 (2004).
-
(2004)
Chem. Comm.
, vol.40
, pp. 88
-
-
Feng, Y.1
Liu, L.2
Wang, J.T.3
Li, X.S.4
Guo, Q.X.5
-
11
-
-
33748285606
-
-
Y. Li, D. Wu, Z.R. Li, W. Chen and C.C. Sun, J. Chem. Phys. 125, 084317 (2006).
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 084317
-
-
Li, Y.1
Wu, D.2
Li, Z.R.3
Chen, W.4
Sun, C.C.5
-
12
-
-
73349086873
-
-
Q.Z. Li, H.Z. Wang, Z.B. Liu, W.Z. Li, J.B. Cheng, B.A. Gong and J.Z. Sun, J. Phys. Chem. A 113, 14156 (2009).
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 14156
-
-
Li, Q.Z.1
Wang, H.Z.2
Liu, Z.B.3
Li, W.Z.4
Cheng, J.B.5
Gong, B.A.6
Sun, J.Z.7
-
13
-
-
66649093029
-
-
Q.Z. Li, Y.F. Wang, W.Z. Li, J.B. Cheng, B.A. Gong and J.Z. Sun, Phys. Chem. Chem. Phys. 11, 2402 (2009).
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 2402
-
-
Li, Q.Z.1
Wang, Y.F.2
Li, W.Z.3
Cheng, J.B.4
Gong, B.A.5
Sun, J.Z.6
-
14
-
-
0000736269
-
-
A.B. Sannigrahi, T. Kar, Guha, B. Niyogi, P. Hobza and P. von Rague Schleyer, Chem. Rev. 90, 1061 (1990).
-
(1990)
Chem. Rev.
, vol.90
, pp. 1061
-
-
Sannigrahi, A.B.1
Kar, T.2
Guha3
Niyogi, B.4
Hobza, P.5
Schleyer Rague P.Von6
-
15
-
-
0001060066
-
-
H.S. Choi, S.B. Suh, S.J. Cho and K.S. Kim, Proc. Natl. Acad. Sci. USA 95, 12094 (1998).
-
(1998)
Proc. Natl. Acad. Sci. USA
, vol.95
, pp. 12094
-
-
Choi, H.S.1
Suh, S.B.2
Cho, S.J.3
Kim, K.S.4
-
16
-
-
33845575030
-
-
R.S. Prajapati, M. Sirajuddin, V. Durani, S. Sreeramulu and R. Varadarajan, Biochem. 45, 15000 (2006).
-
(2006)
Biochem.
, vol.45
, pp. 15000
-
-
Prajapati, R.S.1
Sirajuddin, M.2
Durani, V.3
Sreeramulu, S.4
Varadarajan, R.5
-
18
-
-
0034831404
-
-
S. Tsuzuki, M. Yoshida, T. Uchimaru and M. Mikami, J. Phys. Chem. A 105, 769 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 769
-
-
Tsuzuki, S.1
Yoshida, M.2
Uchimaru, T.3
Mikami, M.4
-
21
-
-
0037468201
-
-
D. Kim, S. Hu, P. Tarakeshwar and K.S. Kim, J. Phys. Chem. A 107, 1228 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 1228
-
-
Kim, D.1
Hu, S.2
Tarakeshwar, P.3
Kim, K.S.4
-
22
-
-
77951623156
-
-
I. Alkorta, F. Blanco, P.M. Deyà, J. Elguero, C. Estarellas, A. Frontera and D. Quiñonero, Theor. Chem. Acc. 126, 1 (2010).
-
(2010)
Theor. Chem. Acc.
, vol.126
, pp. 1
-
-
Alkorta, I.1
Blanco, F.2
Deyà, P.M.3
Elguero, J.4
Estarellas, C.5
Frontera, A.6
Quiñonero, D.7
-
26
-
-
33846811337
-
-
B. Skwara, W. Bartkowiak, A. Zawada, R.W. Gora and J. Leszczynski, Chem. Phys. Lett. 436, 116 (2007).
-
(2007)
Chem. Phys. Lett.
, vol.436
, pp. 116
-
-
Skwara, B.1
Bartkowiak, W.2
Zawada, A.3
Gora, R.W.4
Leszczynski, J.5
-
27
-
-
0035475744
-
-
R.D. Parra, M. Furukawa, B. Gong and X.C. Zeng, J. Chem. Phys. 115, 6030 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6030
-
-
Parra, R.D.1
Furukawa, M.2
Gong, B.3
Zeng, X.C.4
-
28
-
-
0001655663
-
-
T. Steiner, B. Lutz, J. van der Maas, N. Veldman, A.M.M. Schreurs, J. Kroon and J.A. Kanters, Chem. Commun. 33, 191 (1997).
-
(1997)
Chem. Commun.
, vol.33
, pp. 191
-
-
Steiner, T.1
Lutz, B.2
Maas Der J.Van3
Veldman, N.4
Schreurs, A.M.M.5
Kroon, J.6
Kanters, J.A.7
-
32
-
-
53049093578
-
-
Q.Z. Li, T. Hu, X.L. An, B.A. Gong and J.B. Cheng, ChemPhysChem 9, 1942 (2008).
-
(2008)
ChemPhysChem
, vol.9
, pp. 1942
-
-
Li, Q.Z.1
Hu, T.2
An, X.L.3
Gong, B.A.4
Cheng, J.B.5
-
33
-
-
42449154738
-
-
Q.Z. Li, X.L. An, F. Luan, W.Z. Li, B.A. Gong, J.B. Cheng and J.Z. Sun, J. Chem. Phys. 128, 154102 (2008).
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 154102
-
-
Li, Q.Z.1
An, X.L.2
Luan, F.3
Li, W.Z.4
Gong, B.A.5
Cheng, J.B.6
Sun, J.Z.7
-
34
-
-
54349113572
-
-
Q.Z. Li, Q.Q. Lin, W.Z. Li, B.A. Gong, J.B. Cheng and J.Z. Sun, ChemPhysChem 9, 2265 (2008).
-
(2008)
ChemPhysChem
, vol.9
, pp. 2265
-
-
Li, Q.Z.1
Lin, Q.Q.2
Li, W.Z.3
Gong, B.A.4
Cheng, J.B.5
Sun, J.Z.6
-
35
-
-
77449094466
-
-
Q.Z. Li, T. Hu, X.L. An, W.Z. Li, J.B. Cheng, B.A. Gong and J.Z. Sun, ChemPhysChem 10, 3310 (2009).
-
(2009)
ChemPhysChem
, vol.10
, pp. 3310
-
-
Li, Q.Z.1
Hu, T.2
An, X.L.3
Li, W.Z.4
Cheng, J.B.5
Gong, B.A.6
Sun, J.Z.7
-
36
-
-
42249105369
-
-
D. Escudero, A. Frontera, D. Quiñonero and P.M. Deyà, Chem. Phys. Lett. 456, 257 (2008).
-
(2008)
Chem. Phys. Lett.
, vol.456
, pp. 257
-
-
Escudero, D.1
Frontera, A.2
Quiñonero, D.3
Deyà, P.M.4
-
38
-
-
69949139295
-
-
X. Lucas, C. Estarellas, D. Escudero, A. Frontera, D. Quinonero and P.M. Deya, ChemPhysChem 10, 2256 (2009).
-
(2009)
ChemPhysChem
, vol.10
, pp. 2256
-
-
Lucas, X.1
Estarellas, C.2
Escudero, D.3
Frontera, A.4
Quinonero, D.5
Deya, P.M.6
-
39
-
-
58149218567
-
-
D. Escudero, A. Frontera, D. Quiñonero and P.M. Deyà, J. Comput. Chem. 30, 75 (2009).
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 75
-
-
Escudero, D.1
Frontera, A.2
Quiñonero, D.3
Deyà, P.M.4
-
40
-
-
56749183475
-
-
J. Santos, B. Grimm, B.M. Illescas, D.M. Guldi and N. Martín, Chem. Commun. 44, 5993 (2008).
-
(2008)
Chem. Commun.
, vol.44
, pp. 5993
-
-
Santos, J.1
Grimm, B.2
Illescas, B.M.3
Guldi, D.M.4
Martín, N.5
-
42
-
-
41449083248
-
-
J.C. Riggs, A. Ramirez, M.E. Cremeens, C.G. Bashore, J. Candler, M.C. Wirtz, J.W. Coe and D.B. Collum, J. Am. Chem. Soc. 130, 3406 (2008).
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3406
-
-
Riggs, J.C.1
Ramirez, A.2
Cremeens, M.E.3
Bashore, C.G.4
Candler, J.5
Wirtz, M.C.6
Coe, J.W.7
Collum, D.B.8
-
43
-
-
79955688674
-
-
A.C. Hoepker, L. Gupta, Y. Ma, M.F. Faggin and D.B. Collum, J. Am. Chem. Soc. 133, 7135 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 7135
-
-
Hoepker, A.C.1
Gupta, L.2
Ma, Y.3
Faggin, M.F.4
Collum, D.B.5
-
44
-
-
75749083809
-
-
(Gaussian, Inc., Wallingford CT
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez and J.A. Pople, Gaussian 09, Revision A.02 (Gaussian, Inc., Wallingford CT, 2009).
-
(2009)
Gaussian 09, Revision A.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
more..
-
47
-
-
33845281510
-
-
R.F.W. Bader, M.T. Carroll, J.R. Cheeseman and C. Chang, J. Am. Chem. Soc. 109, 7968 (1987).
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 7968
-
-
Bader, R.F.W.1
Carroll, M.T.2
Cheeseman, J.R.3
Chang, C.4
-
48
-
-
0003808283
-
-
Sequential and Parallel Versions
-
R. Bukowski, W. Cencek, P. Jankowski, B. Jeziorski, M. Jeziorska, S. A. Kucharski, A. J. Misquitta, R. Moszynski, K. Patkowski, S. Rybak, K. Szalewicz, H. L. Williams and P. E. S. Wormer, SAPT2002: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies. Sequential and Parallel Versions, 2003.
-
(2003)
SAPT2002: An Ab Initio Program for Many-Body Symmetry-Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies
-
-
Bukowski, R.1
Cencek, W.2
Jankowski, P.3
Jeziorski, B.4
Jeziorska, M.5
Kucharski, S.A.6
Misquitta, A.J.7
Moszynski, R.8
Patkowski, K.9
Rybak, S.10
Szalewicz, K.11
Williams, H.L.12
Wormer, P.E.S.13
-
57
-
-
77957863625
-
-
F.A. Bulat, A. Toro-Labbé , T. Brinck, J.S. Murray and P. Politzer, J. Mol. Model 16, 1679 (2010).
-
(2010)
J. Mol. Model
, vol.16
, pp. 1679
-
-
Bulat, F.A.1
Toro-Labbé, A.2
Brinck, T.3
Murray, J.S.4
Politzer, P.5
|