-
2
-
-
0003673319
-
-
Oxford University Press: New York
-
Sheiner, S. Hydrogen Bonding, Oxford University Press: New York, 1997.
-
(1997)
Hydrogen Bonding
-
-
Sheiner, S.1
-
4
-
-
33646363060
-
-
Grabowski, S. J.; Sokalski, W. A.; Dyguda, E.; Leszczynski, J. J. Phys. Chem. B 2006, 110, 6444.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 6444
-
-
Grabowski, S.J.1
Sokalski, W.A.2
Dyguda, E.3
Leszczynski, J.4
-
9
-
-
67049142904
-
-
Sedlak, R.; Hobza, P.; Patwari, G. N. J. Phys. Chem. A 2009, 113, 6620.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 6620
-
-
Sedlak, R.1
Hobza, P.2
Patwari, G.N.3
-
11
-
-
0035859404
-
-
Reimann, B.; Buchhold, K.; Vaupel, S.; Brutschy, B.; Havias, Z.; Hobza, P. J. Phys. Chem. A 2001, 105, 5560.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 5560
-
-
Reimann, B.1
Buchhold, K.2
Vaupel, S.3
Brutschy, B.4
Havias, Z.5
Hobza, P.6
-
12
-
-
0000269656
-
-
Mizuno, K.; Miyashita, Y.; Shindo, Y.; Ogawa, H. J. Phys. Chem. 1995, 99, 3225.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 3225
-
-
Mizuno, K.1
Miyashita, Y.2
Shindo, Y.3
Ogawa, H.4
-
13
-
-
0000277616
-
-
Mizuno, K.; Kimura, Y.; Morichika, H.; Nishimura, Y.; Shimada, S.; Maeda, S.; Imafuji, S.; Ochi, T. J. Mol. Lia 2000, 85, 139.
-
(2000)
J. Mol. Lia
, vol.85
, pp. 139
-
-
Mizuno, K.1
Kimura, Y.2
Morichika, H.3
Nishimura, Y.4
Shimada, S.5
Maeda, S.6
Imafuji, S.7
Ochi, T.8
-
14
-
-
37349002053
-
-
(a) Li, Q.; An, X.; Gong, B.; Cheng, J. Soectrochim. Acta A 2008, 69, 211.
-
(2008)
Soectrochim. Acta A
, vol.69
, pp. 211
-
-
Li, Q.1
An, X.2
Gong, B.3
Cheng, J.4
-
15
-
-
34047261096
-
-
(b) Gojło, E.; Gampe, T.; Krakowiak, J.; Stangret, J. J Phys. Chem. A 2007, 111, 1827.
-
(2007)
J Phys. Chem. A
, vol.111
, pp. 1827
-
-
Gojło, E.1
Gampe, T.2
Krakowiak, J.3
Stangret, J.4
-
16
-
-
36049033734
-
-
(c) Li, Q.; Wang, N.; Zhiwu, Y. J. Mol. Struct. (THEOCHEM) 2007, 847, 68.
-
(2007)
J. Mol. Struct. (THEOCHEM)
, vol.847
, pp. 68
-
-
Li, Q.1
Wang, N.2
Zhiwu, Y.3
-
18
-
-
0242377608
-
-
Mizuno, K.; Imafuji, S.; Fujiwara, T.; Ohta, T.; Tamiya, Y. J. Phys. Chem. B 2003, 107, 3972.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 3972
-
-
Mizuno, K.1
Imafuji, S.2
Fujiwara, T.3
Ohta, T.4
Tamiya, Y.5
-
19
-
-
0000291947
-
-
Mizuno, K.; Ochi, T.; Shindo, Y. J. Chem. Phys. 1998, 109, 9502.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 9502
-
-
Mizuno, K.1
Ochi, T.2
Shindo, Y.3
-
20
-
-
0034315741
-
-
Mizuno, K.; Imafuji, S.; Ochi, T.; Ohta, T.; Maeda, S. J. Phys. Chem. B 2000, 104. 11001.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 11001
-
-
Mizuno, K.1
Imafuji, S.2
Ochi, T.3
Ohta, T.4
Maeda, S.5
-
21
-
-
7444249587
-
-
Chang, H.-C; Jiang, J.-C; Chuang, C-W.; Lin, S. H. Chem. Phys. Lett. 2004, 397, 205.
-
(2004)
Chem. Phys. Lett.
, vol.397
, pp. 205
-
-
Chang, H.-C.1
Jiang, J.-C.2
Chuang, C.-W.3
Lin, S.H.4
-
22
-
-
20444481714
-
-
Chang, H.-C; Jiang, J.-C; Chuang, C-W.; IJn, J.-S.; Lai, W.-W.; Yang, Y.-G; Lin, S. H. Chem. Phys. Lett. 2005, 410, 42.
-
(2005)
Chem. Phys. Lett.
, vol.410
, pp. 42
-
-
Chang, H.-C.1
Jiang, J.-C.2
Chuang, C.-W.3
Ijn, J.-S.4
Lai, W.-W.5
Yang, Y.-G.6
Lin, S.H.7
-
24
-
-
61949111794
-
-
Mizuno, K.; Masuda, Y.; Yamamura, T.; Kitamura, J.; Ogata, I. B.; Tamai, Y.; Yagasaki, T. J. Phys. Chem. B 2009, 113, 906.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 906
-
-
Mizuno, K.1
Masuda, Y.2
Yamamura, T.3
Kitamura, J.4
Ogata, I.B.5
Tamai, Y.6
Yagasaki, T.7
-
25
-
-
0037203730
-
-
(a) Sosa, G. L.; Peruchena, N. M.; Contreras, R. H.; Castro, E. A. J. Mol. Struct. (THEOCHEM) 2002, 577, 219.
-
(2002)
J. Mol. Struct. (THEOCHEM)
, vol.577
, pp. 219
-
-
Sosa, G.L.1
Peruchena, N.M.2
Contreras, R.H.3
Castro, E.A.4
-
26
-
-
0037187131
-
-
(b) okulik, N. Sosa, G. L.; Esteves, P.; Mota, C.; Jubert, A. H.; Peruchena, N. M. J. Phys. Chem. A 2002, 106, 1584.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 1584
-
-
Okulik, N.1
Sosa, G.L.2
Esteves, P.3
Mota, C.4
Jubert, A.H.5
Peruchena, N.M.6
-
27
-
-
18144424343
-
-
(c) Fidanza, N. G.; Sosa, G. L.; Lobayan, R.; Peruchena, N. M. J. Mol. Struct. (THEOCHEM) 2005, 722, 65.
-
(2005)
J. Mol. Struct. (THEOCHEM)
, vol.722
, pp. 65
-
-
Fidanza, N.G.1
Sosa, G.L.2
Lobayan, R.3
Peruchena, N.M.4
-
28
-
-
51849096263
-
-
(d) Chamorro, E.; Sequeira, A.; Zalazar, M. F.; Peruchena, N. M. J. Bioorg. Med. Chem. 2008, 16, 8535.
-
(2008)
J. Bioorg. Med. Chem.
, vol.16
, pp. 8535
-
-
Chamorro, E.1
Sequeira, A.2
Zalazar, M.F.3
Peruchena, N.M.4
-
32
-
-
65649088270
-
-
(a) Parthasarathi, R.; Elango, M.; Subramanian, V.; Sathyamurthy, N. J. Phys. Chem, A 2009, 113, 3744.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 3744
-
-
Parthasarathi, R.1
Elango, M.2
Subramanian, V.3
Sathyamurthy, N.4
-
33
-
-
34547532072
-
-
(b) Chen, Y.; Viswanathan, R.; Dannenberg, J. J. J. Phys. Chem. B 2007, 111, 8329.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 8329
-
-
Chen, Y.1
Viswanathan, R.2
Dannenberg, J.J.3
-
34
-
-
35548995531
-
-
(c) Li, Q.; An, X.; Gong, B.; Cheng, J. J. Phys. Chem. A 2007, 111, 10166.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10166
-
-
Li, Q.1
An, X.2
Gong, B.3
Cheng, J.4
-
36
-
-
33745789660
-
-
(e) Ziolkowski, M.; Grabowski, S. J.; Leszczynski, J. J. Phys. Chem. A 2006, 110, 6514.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6514
-
-
Ziolkowski, M.1
Grabowski, S.J.2
Leszczynski, J.3
-
39
-
-
0011083499
-
-
(a) Reed, A. E.; Curti, L. A.; Weinhold, F. Chem. Rev. 1, 988, 88, 899.
-
(1988)
Chem. Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curti, L.A.2
Weinhold, F.3
-
43
-
-
52149093169
-
-
version 2.0 Depto. de Ciências Farmacêuticas (UFPE)
-
Hernandes, M. Z. AGOA Program, version 2.0 2003. Depto. de Ciências Farmacêuticas (UFPE) Available from: http://www.ufpe.br/farmaci.a/ zaldini/agoa.html/.
-
(2003)
Available from
-
-
Hernandes, M.Z.1
-
44
-
-
84962428149
-
-
Oliveira, B. G.; Araújo, R. C. M. U. Carvalho, A. B.; Ramos, M. N.; Hernandes, M. Z.; Cavalcante, K. R. J. Mol, Struct, (THEOCHEM) 2007, 802, 91.
-
(2007)
J. Mol, Struct, (THEOCHEM)
, vol.802
, pp. 91
-
-
Oliveira, B.G.1
Araújo, R.C.M.U.2
Carvalho, A.B.3
Ramos, M.N.4
Hernandes, M.Z.5
Cavalcante, K.R.6
-
46
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, 37, 785.
-
(1988)
Phys. Rev.
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
50
-
-
32844466663
-
-
version 2.0; Bader, R. F. W., chemical adviser; Büro für Innovative Software Streibel Blieger-König: Bielefeld, Germany
-
Blieger-König, F.; Schönbohn, J. AIM 2000 program package, version 2.0; Bader, R. F. W., chemical adviser; Büro für Innovative Software Streibel Blieger-König: Bielefeld, Germany, 2002.
-
(2002)
AIM 2000 Program Package
-
-
Blieger-König, F.1
Schönbohn, J.2
-
51
-
-
0003622008
-
-
version 3.1; University of Wisconsin: Madison, WI
-
Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO, version 3.1; University of Wisconsin: Madison, WI.
-
NBO
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
52
-
-
0038626673
-
-
revision D.01; Gaussian, Inc.: Wallingford, CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R,; Hasegawa, .T.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A, J.; Cammi, R.; Pomelli, C; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C; Parkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K. Foresman, J. B.; Ortiz, J. V. Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W; Wong, M. W.; Gonzalez, C; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Wallingford, CT, 2004.
-
(2004)
Gaussian 03
-
-
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.7
, J.A.8
Vreven, T.9
Kudin, K.N.10
Burant, J.C.11
Millam, J.M.12
Iyengar, S.S.13
Tomasi, J.14
Barone, V.15
Mennucci, B.16
Cossi, M.17
Scalmani, G.18
Rega, N.19
Petersson, G.A.20
Nakatsuji, H.21
Hada, M.22
Ehara, M.23
Toyota, K.24
Fukuda, R.25
Hasegawa, T.26
Ishida, M.27
Nakajima, T.28
Honda, Y.29
Kitao, O.30
Nakai, H.31
Klene, M.32
Li, X.33
Knox, J.E.34
Hratchian, H.P.35
Cross, J.B.36
Bakken, V.37
Adamo, C.38
Jaramillo, J.39
Gomperts, R.40
Stratmann, R.E.41
Yazyev, O.42
Austin, A.J.43
Cammi, R.44
Pomelli, C.45
Ochterski, J.W.46
Ayala, P.Y.47
Morokuma, K.48
Voth, G.A.49
Salvador, P.50
Dannenberg, J.J.51
Zakrzewski, V.G.52
Dapprich, S.53
Daniels, A.D.54
Strain, M.C.55
Parkas, O.56
Malick, D.K.57
Rabuck, A.D.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, L.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
53
-
-
0032503516
-
-
Caminati, W.; Dell̀ Erba, A.; Melandr, S.; Pavero, P. G. J. Am. Chem. Soc. 1988, 120, 5555.
-
(1988)
J. Am. Chem. Soc.
, vol.120
, pp. 5555
-
-
Caminati, W.1
Dell̀ Erba, A.2
Melandr, S.3
Pavero, P.G.4
-
54
-
-
0031765788
-
-
Spoerel, U.; Stahl, W.; Caminati, W.; Favero, P. G. Chem-Eur. J. 1988, 4, 1974.
-
(1988)
Chem-Eur. J.
, vol.4
, pp. 1974
-
-
Spoerel, U.1
Stahl, W.2
Caminati, W.3
Favero, P.G.4
-
58
-
-
33746374365
-
-
Oliveira, B. G.; Pereira, F. S.; de Araujo, R. C M. U.; Ramos, M. N. Chem. Phys. Lett. 2006, 427, 181.
-
(2006)
Chem. Phys. Lett.
, vol.427
, pp. 181
-
-
Oliveira, B.G.1
Pereira, F.S.2
De Araujo, R.C.M.U.3
Ramos, M.N.4
-
62
-
-
0032535959
-
-
Koritsanszky, T.; Flaig, R.; Zobel, D.; Krane, H. G.; Morgenroth, W.; Luger, P. Science 1998, 279. 356.
-
(1998)
Science
, vol.279
, pp. 356
-
-
Koritsanszky, T.1
Flaig, R.2
Zobel, D.3
Krane, H.G.4
Morgenroth, W.5
Luger, P.6
|