-
7
-
-
33845869849
-
-
Hernández-Trujillo, J.; Cortés-Guzmán, F.; Fang, D.-C.; Bader, R. F. W. Faraday Discuss. 2007, 135, 79
-
(2007)
Faraday Discuss.
, vol.135
, pp. 79
-
-
Hernández-Trujillo, J.1
Cortés-Guzmán, F.2
Fang, D.-C.3
Bader, R.F.W.4
-
9
-
-
62349089329
-
-
Zhang, L.; Ying, F.; Wu, W.; Hiberty, P. C.; Shaik, S. Chem.-Eur. J. 2009, 15, 2979
-
(2009)
Chem.-Eur. J.
, vol.15
, pp. 2979
-
-
Zhang, L.1
Ying, F.2
Wu, W.3
Hiberty, P.C.4
Shaik, S.5
-
10
-
-
33747079910
-
-
Foroutan-Nejad, C.; Shafiee, G. H.; Sadjadi, A.; Shahbazian, S. Can. J. Chem. 2006, 84, 771
-
(2006)
Can. J. Chem.
, vol.84
, pp. 771
-
-
Foroutan-Nejad, C.1
Shafiee, G.H.2
Sadjadi, A.3
Shahbazian, S.4
-
14
-
-
79951891669
-
-
Foroutan-Nejad, C.; Shahbazian, S.; Rashidi-Ranjbar, P. Phys. Chem. Chem. Phys. 2011, 13, 4576
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 4576
-
-
Foroutan-Nejad, C.1
Shahbazian, S.2
Rashidi-Ranjbar, P.3
-
15
-
-
0038476327
-
-
Matta, C. F.; Hernandez-Trujillo, J.; Tang, T.-H.; Bader, R. F. W. Chem.-Eur. J. 2003, 9, 1940
-
(2003)
Chem.-Eur. J.
, vol.9
, pp. 1940
-
-
Matta, C.F.1
Hernandez-Trujillo, J.2
Tang, T.-H.3
Bader, R.F.W.4
-
16
-
-
33645324416
-
-
Poater, J.; Solà, M.; Bickelhaupt, F. M. Chem.-Eur. J. 2006, 12, 2889
-
(2006)
Chem.-Eur. J.
, vol.12
, pp. 2889
-
-
Poater, J.1
Solà, M.2
Bickelhaupt, F.M.3
-
18
-
-
34848817067
-
-
Wolstenholme, D. J.; Matta, C. F.; Cameron, T. S. J. Phys. Chem. A 2007, 111, 8803
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 8803
-
-
Wolstenholme, D.J.1
Matta, C.F.2
Cameron, T.S.3
-
19
-
-
70349786459
-
-
Grimme, S.; Mück-Lichtenfeld, C.; Erker, G.; Kehr, G.; Wang, H.; Beckers, H.; Willner, H. Angew. Chem., Int. Ed. 2009, 48, 2592
-
(2009)
Angew. Chem., Int. Ed.
, vol.48
, pp. 2592
-
-
Grimme, S.1
Mück-Lichtenfeld, C.2
Erker, G.3
Kehr, G.4
Wang, H.5
Beckers, H.6
Willner, H.7
-
22
-
-
80855151278
-
-
Special issue on aromaticity: guest ed
-
Special issue on aromaticity: Schleyer, P. v. R., guest ed. Chem. Rev. 2001, 101.
-
(2001)
Chem. Rev.
, vol.101
-
-
Schleyer V. P, R.1
-
23
-
-
80855142381
-
-
Special issue on electron delocalization: guest ed
-
Special issue on electron delocalization: Schleyer, P. v. R., guest ed. Chem. Rev. 2005, 105.
-
(2005)
Chem. Rev.
, vol.105
-
-
Schleyer V. P, R.1
-
26
-
-
33845416380
-
-
Mandado, M.; Bultinck, P.; Gonzalez-Mao, M.; Mosquera, R. A. Chem. Phys. Lett. 2006, 443, 5
-
(2006)
Chem. Phys. Lett.
, vol.443
, pp. 5
-
-
Mandado, M.1
Bultinck, P.2
Gonzalez-Mao, M.3
Mosquera, R.A.4
-
29
-
-
74149092633
-
-
Ebrahimi, A. A.; Ghiasi, R.; Foroutan-Nejad, C. THEOCHEM 2010, 941, 47
-
(2010)
THEOCHEM
, vol.941
, pp. 47
-
-
Ebrahimi, A.A.1
Ghiasi, R.2
Foroutan-Nejad, C.3
-
30
-
-
27744549322
-
-
for a thorough review see: Merino, G.; Vela, A.; Heine, T. Chem. Rev. 2005, 105, 3812
-
(2005)
Chem. Rev.
, vol.105
, pp. 3812
-
-
Merino, G.1
Vela, A.2
Heine, T.3
-
32
-
-
33845876604
-
-
Matito, E.; Solà, M.; Salvador, P.; Duran, M. Faraday Discuss. 2007, 135, 325
-
(2007)
Faraday Discuss.
, vol.135
, pp. 325
-
-
Matito, E.1
Solà, M.2
Salvador, P.3
Duran, M.4
-
33
-
-
0034254102
-
-
Giambiagi, M.; de Giambiagi, M. S.; dos Santos, C. D.; de Figueiredo, A. P. Phys. Chem. Chem. Phys. 2000, 2, 3381
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 3381
-
-
Giambiagi, M.1
De Giambiagi, M.S.2
Dos Santos, C.D.3
De Figueiredo, A.P.4
-
34
-
-
22544482677
-
-
Bultinck, P.; Ponec, R.; Van Damme, S. J. Phys. Org. Chem. 2005, 18, 706
-
(2005)
J. Phys. Org. Chem.
, vol.18
, pp. 706
-
-
Bultinck, P.1
Ponec, R.2
Van Damme, S.3
-
35
-
-
33745794688
-
-
Bultinck, P.; Rafat, M.; Ponec, R.; van Gheluwe, B.; Carbó-Dorca, R.; Popelier, P. J. Phys. Chem. A 2006, 110, 7642
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 7642
-
-
Bultinck, P.1
Rafat, M.2
Ponec, R.3
Van Gheluwe, B.4
Carbó-Dorca, R.5
Popelier, P.6
-
36
-
-
33846647429
-
-
Mandado, M.; Gonzalez, M. J.; Mosquera, R. A. J. Comput. Chem. 2006, 28, 127
-
(2006)
J. Comput. Chem.
, vol.28
, pp. 127
-
-
Mandado, M.1
Gonzalez, M.J.2
Mosquera, R.A.3
-
37
-
-
22944465467
-
-
Matito, E.; Duran, M.; Solà, M. J. Chem. Phys. 2005, 122, 014109
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014109
-
-
Matito, E.1
Duran, M.2
Solà, M.3
-
38
-
-
85046634624
-
-
Erratum
-
Erratum: J. Chem. Phys. 2006, 125, 059901.
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 059901
-
-
-
39
-
-
0037416698
-
-
Poater, J.; Fradera, X.; Duran, M.; Solà, M. Chem.-Eur. J. 2003, 9, 1113
-
(2003)
Chem.-Eur. J.
, vol.9
, pp. 1113
-
-
Poater, J.1
Fradera, X.2
Duran, M.3
Solà, M.4
-
44
-
-
0042888578
-
-
Schleyer, P. v. R.; Manoharan, M.; Wang, Z. X.; Kiran, B.; Jiao, H.; Puchta, R.; Hommes, N. J. R. v. E. Org. Lett. 2001, 3, 2465
-
(2001)
Org. Lett.
, vol.3
, pp. 2465
-
-
Schleyer V. P, R.1
Manoharan, M.2
Wang, Z.X.3
Kiran, B.4
Jiao, H.5
Puchta, R.6
Hommes V. R J N, E.7
-
45
-
-
0037245061
-
-
Corminboeuf, C.; Heine, T.; Weber, J. Phys. Chem. Chem. Phys. 2003, 5, 246
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 246
-
-
Corminboeuf, C.1
Heine, T.2
Weber, J.3
-
46
-
-
0042879754
-
-
Heine, T.; Schleyer, P. v. R.; Corminboeuf, C.; Seifert, G.; Reviakine, R.; Weber, J. J. Phys. Chem. A 2003, 107, 6470
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6470
-
-
Heine, T.1
Schleyer V. P, R.2
Corminboeuf, C.3
Seifert, G.4
Reviakine, R.5
Weber, J.6
-
47
-
-
0942279537
-
-
Corminboeuf, C.; Heine, T.; Seifert, G.; Schleyer, P. v. R.; Weber, J. Phys. Chem. Chem. Phys. 2004, 6, 273
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 273
-
-
Corminboeuf, C.1
Heine, T.2
Seifert, G.3
Schleyer V. P, R.4
Weber, J.5
-
48
-
-
33644959806
-
-
Fallah-Bagher-Shaidaei, H.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Org. Lett. 2006, 8, 863
-
(2006)
Org. Lett.
, vol.8
, pp. 863
-
-
Fallah-Bagher-Shaidaei, H.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer V. P, R.5
-
50
-
-
33748747211
-
-
Jiménez-Halla, J. O. C.; Matito, E.; Robles, J.; Solà J. Organomet. Chem. 2006, 691, 4359
-
(2006)
J. Organomet. Chem.
, vol.691
, pp. 4359
-
-
Jiménez-Halla, J.O.C.1
Matito, E.2
Robles, J.3
Solà4
-
52
-
-
27744530363
-
-
Chen, Z.; Wannere, C. S.; Corminboeuf, C.; Puchta, R.; Schleyer, P. v. R. Chem. Rev. 2005, 105, 3842
-
(2005)
Chem. Rev.
, vol.105
, pp. 3842
-
-
Chen, Z.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer V. P, R.5
-
54
-
-
77957896836
-
-
Foroutan-Nejad, C.; Shahbazian, S.; Rashidi-Ranjbar, P. Phys. Chem. Chem. Phys. 2010, 12, 12630
-
(2010)
Phys. Chem. Chem. Phys.
, vol.12
, pp. 12630
-
-
Foroutan-Nejad, C.1
Shahbazian, S.2
Rashidi-Ranjbar, P.3
-
58
-
-
79960895355
-
-
Matta, C. F. Boyd, R. J. eds. Wiley-VCH: Weinham, Chapter 3
-
Keith, T. A. In The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design; Matta, C. F.; Boyd, R. J., eds.; Wiley-VCH: Weinham, 2007; Chapter 3, pp 61-95.
-
(2007)
The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug Design
, pp. 61-95
-
-
Keith, T.A.1
-
63
-
-
0034691898
-
-
Cernusak, I.; Fowler, P. W.; Steiner, E. Mol. Phys. 2000, 98, 945
-
(2000)
Mol. Phys.
, vol.98
, pp. 945
-
-
Cernusak, I.1
Fowler, P.W.2
Steiner, E.3
-
64
-
-
0035910587
-
-
Steiner, E.; Fowler, P. W.; Jennesskens, L. W. Angew. Chem., Int. Ed. 2001, 40, 362
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 362
-
-
Steiner, E.1
Fowler, P.W.2
Jennesskens, L.W.3
-
67
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
68
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
70
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
71
-
-
0038626673
-
-
Gaussian, Inc. Pittsburgh PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; 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, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; 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.; Farkas, 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, I.; 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; Gaussian, Inc.: Pittsburgh PA, 2003.
-
(2003)
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.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
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
75
-
-
84857628114
-
-
Dodds, J. L.; McWeeny, R.; Sadlej, A. J. Mol. Phys. 1980, 41, 1419
-
(1980)
Mol. Phys.
, vol.41
, pp. 1419
-
-
Dodds, J.L.1
McWeeny, R.2
Sadlej, A.J.3
-
76
-
-
11744305193
-
-
Wolinski, K.; Hilton, J. F.; Pulay, P. J. Am. Chem. Soc. 1990, 112, 8251
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 8251
-
-
Wolinski, K.1
Hilton, J.F.2
Pulay, P.3
-
77
-
-
80855129745
-
-
version 11.02.27
-
Keith, T. A. AIMAll, version 11.02.27; 2011; http://aim.tkgristmill.com.
-
(2011)
AIMAll
-
-
Keith, T.A.1
-
78
-
-
36849141327
-
-
Stevens, R. M.; Pitzer, R. M.; Lipscomb, W. N. J. Chem. Phys. 1963, 38, 550
-
(1963)
J. Chem. Phys.
, vol.38
, pp. 550
-
-
Stevens, R.M.1
Pitzer, R.M.2
Lipscomb, W.N.3
-
80
-
-
78149426072
-
-
Monaco, G.; Zanasi, R.; Pelloni, S.; Lazzeretti, P. J. Chem. Theory. Comput. 2010, 6, 3343
-
(2010)
J. Chem. Theory. Comput.
, vol.6
, pp. 3343
-
-
Monaco, G.1
Zanasi, R.2
Pelloni, S.3
Lazzeretti, P.4
-
81
-
-
79958850114
-
-
Foroutan-Nejad, C.; Shahbazian, S.; Feixas, F.; Rashidi-Ranjbar, P.; Solà, M. J. Comput. Chem. 2011, 32, 2422
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2422
-
-
Foroutan-Nejad, C.1
Shahbazian, S.2
Feixas, F.3
Rashidi-Ranjbar, P.4
Solà, M.5
-
84
-
-
77957297558
-
-
Fowler, P. W.; Bean, D. E.; Seed, M. J. Phys. Chem. A 2010, 114, 10742
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 10742
-
-
Fowler, P.W.1
Bean, D.E.2
Seed, M.3
-
85
-
-
77952754393
-
-
Carion, R; Liégeois, V.; Champagne, B.; Bonifazi, D.; Pelloni, S.; Lazzeretti, P. J. Phys. Chem. Lett. 2010, 1, 1563
-
(2010)
J. Phys. Chem. Lett.
, vol.1
, pp. 1563
-
-
Carion, R.1
Liégeois, V.2
Champagne, B.3
Bonifazi, D.4
Pelloni, S.5
Lazzeretti, P.6
-
86
-
-
0035793355
-
-
Li, X.; Kuznetsov, A. E.; Zhang, H.-F.; Boldyrev, A. I.; Wang, L. S. Science 2001, 291, 859
-
(2001)
Science
, vol.291
, pp. 859
-
-
Li, X.1
Kuznetsov, A.E.2
Zhang, H.-F.3
Boldyrev, A.I.4
Wang, L.S.5
-
87
-
-
0002548505
-
-
Fowler, P. W.; Havenith, R. W. A.; Steiner, E. Chem. Phys. Lett. 2001, 342, 85
-
(2001)
Chem. Phys. Lett.
, vol.342
, pp. 85
-
-
Fowler, P.W.1
Havenith, R.W.A.2
Steiner, E.3
|