-
2
-
-
0001683823
-
-
N. Jonathan, S. Gordon, B. P. Dailey, J. Chem. Phys. 1962, 36, 2443-2448.
-
(1962)
J. Chem. Phys.
, vol.36
, pp. 2443-2448
-
-
Jonathan, N.1
Gordon, S.2
Dailey, B.P.3
-
3
-
-
0003913040
-
-
Academic Press Inc. London
-
E. Clar, Polycyclic Hydrocarbons, Academic Press Inc., London, 1964, vol. 1-2.
-
(1964)
Polycyclic Hydrocarbons
, vol.1-2
-
-
Clar, E.1
-
4
-
-
0001185675
-
-
E. Clar, Ü. Sanigök, M. Zander, Tetrahedron 1968, 24, 2817-2823.
-
(1968)
Tetrahedron
, vol.24
, pp. 2817-2823
-
-
Clar, E.1
Zander, M.2
Sanigök, Ü.3
-
10
-
-
0001462854
-
-
M. Randic, Tetrahedron 1977, 33, 1905-1920.
-
(1977)
Tetrahedron
, vol.33
, pp. 1905-1920
-
-
Randic, M.1
-
12
-
-
0002275773
-
-
(Eds.:, J. F. Liebman, A. Greenberg), VCH, Weinheim
-
S. E. Stein, R. L. Brown, Molecular Structure and Energetics (Eds.:, J. F. Liebman, A. Greenberg), VCH, Weinheim, 1987, vol. 2, pp. 37-66.
-
(1987)
Molecular Structure and Energetics
, vol.2
, pp. 37-66
-
-
Stein, S.E.1
Brown, R.L.2
-
17
-
-
0035910587
-
-
Angew. Chem. Int. Ed. 2001, 40, 362 - 366.
-
E. Steiner, P. W. Fowler, L. W. Jenneskens, Angew. Chem. 2001, 113, 375; Angew. Chem. Int. Ed. 2001, 40, 362-366.
-
(2001)
Angew. Chem.
, vol.113
, pp. 375
-
-
Steiner, E.1
Fowler, P.W.2
Jenneskens, L.W.3
-
18
-
-
0037085837
-
-
O. Ivanciuc, L. Bytautas, D. J. Clein, J. Chem. Phys. 2002, 116, 4735-4748.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 4735-4748
-
-
Ivanciuc, O.1
Bytautas, L.2
Clein, D.J.3
-
19
-
-
0036042410
-
-
O. Ivanciuc, D. J. Clein, L. Bytautas, Carbon 2002, 40, 2063-2083.
-
(2002)
Carbon
, vol.40
, pp. 2063-2083
-
-
Ivanciuc, O.1
Clein, D.J.2
Bytautas, L.3
-
20
-
-
0036704027
-
-
E. Steiner, P. W. Fowler, R. W. A. Havenith, J. Phys. Chem. A 2002, 106, 7048-7056.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 7048-7056
-
-
Steiner, E.1
Fowler, P.W.2
Havenith, R.W.A.3
-
21
-
-
0037871592
-
-
D. Moran, F. Stahl, H. F. Bettinger, H. F. Schaefer III, P. v. R. Schleyer, J. Am. Chem. Soc. 2003, 125, 6746-6752.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6746-6752
-
-
Moran, D.1
Stahl, F.2
Bettinger, H.F.3
Schaefer Iii, H.F.4
Schleyer, P.V.R.5
-
22
-
-
0042808729
-
-
A. Soncini, E. Steiner, P. W. Fowler, R. W. A. Havenith, L. W. Jenneskens, Chem. Eur. J. 2003, 9, 2974-2981.
-
(2003)
Chem. Eur. J.
, vol.9
, pp. 2974-2981
-
-
Soncini, A.1
Steiner, E.2
Fowler, P.W.3
Havenith, R.W.A.4
Jenneskens, L.W.5
-
23
-
-
33750429597
-
-
A. Ciesielski, M. K. Cyrański, T. M. Krygowski, P. W. Fowler, M. Lillington, J. Org. Chem. 2006, 71, 6840-6845.
-
(2006)
J. Org. Chem.
, vol.71
, pp. 6840-6845
-
-
Ciesielski, A.1
Cyrański, M.K.2
Krygowski, T.M.3
Fowler, P.W.4
Lillington, M.5
-
24
-
-
53849122960
-
-
S. Fias, P. W. Fowler, J. L. Delgado, U. Hahn, P. Bultinck, Chem. Eur. J. 2008, 14, 3093-3099.
-
(2008)
Chem. Eur. J.
, vol.14
, pp. 3093-3099
-
-
Fias, S.1
Fowler, P.W.2
Delgado, J.L.3
Hahn, U.4
Bultinck, P.5
-
26
-
-
77956992061
-
-
A. T. Balaban, D. E. Bean, P. W. Fowler, Acta Chim. Slov. 2010, 57, 507-512.
-
(2010)
Acta Chim. Slov.
, vol.57
, pp. 507-512
-
-
Balaban, A.T.1
Bean, D.E.2
Fowler, P.W.3
-
27
-
-
33845868210
-
-
E. Steiner, P. W. Fowler, A. Soncini, L. W. Jenneskens, J. Chem. Soc. Faraday Trans. 2007, 309-323.
-
(2007)
J. Chem. Soc. Faraday Trans.
, pp. 309-323
-
-
Steiner, E.1
Fowler, P.W.2
Soncini, A.3
Jenneskens, L.W.4
-
32
-
-
84926111067
-
-
Cambridge University Press, Cambridge, U.K.
-
F. Weinhold, C. Landis, Valency and bonding-A natural bond orbital donor-acceptor perspective, Cambridge University Press, Cambridge, U.K., 2005.
-
(2005)
Valency and Bonding - A Natural Bond Orbital Donor-acceptor Perspective
-
-
Weinhold, F.1
Landis, C.2
-
33
-
-
0011190497
-
-
P. v. R. Schleyer, C. Maerker, A. Dransfeld, H. J. Jiao, N. J. R. van Eikema Hommes, J. Am. Chem. Soc. 1996, 118, 6317-6318.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6317-6318
-
-
Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.J.4
Van Eikema Hommes, N.J.R.5
-
34
-
-
33644959806
-
-
H. Fallah-Bagher-Shaidaei, C. S. Wannere, C. Corminboeuf, R. Puchta, P. v. R. Schleyer, Org. Lett. 2006, 8, 863-866.
-
(2006)
Org. Lett.
, vol.8
, pp. 863-866
-
-
Fallah-Bagher-Shaidaei, H.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer, P.V.R.5
-
35
-
-
78149417287
-
-
R. Carion, B. Champagne, G. Monaco, R. Zanasi, S. Pelloni, P. Lazzeretti, J. Chem. Theory Comput. 2010, 6, 2002-2018.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 2002-2018
-
-
Carion, R.1
Champagne, B.2
Monaco, G.3
Zanasi, R.4
Pelloni, S.5
Lazzeretti, P.6
-
37
-
-
81355139737
-
-
S. Pelloni, G. Monaco, P. Lazzeretti, R. Zanasi, Phys. Chem. Chem. Phys. 2011, 13, 20666-20672.
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 20666-20672
-
-
Pelloni, S.1
Monaco, G.2
Lazzeretti, P.3
Zanasi, R.4
-
38
-
-
27744481399
-
-
J. Poater, M. Duran, M. Solà , B. Silvi, Chem. Rev. 2005, 105, 3911-3947.
-
(2005)
Chem. Rev.
, vol.105
, pp. 3911-3947
-
-
Poater, J.1
Duran, M.2
Solã, M.3
Silvi, B.4
-
39
-
-
27744549322
-
-
G. Merino, A. Vela, T. Heine, Chem. ReV. 2005, 105, 3812-3841.
-
(2005)
Chem. ReV.
, vol.105
, pp. 3812-3841
-
-
Merino, G.1
Vela, A.2
Heine, T.3
-
40
-
-
22544482677
-
-
P. Bultinck, R. Ponec, S. Van Damme, J. Phys. Org. Chem. 2005, 18, 706-718.
-
(2005)
J. Phys. Org. Chem.
, vol.18
, pp. 706-718
-
-
Bultinck, P.1
Ponec, R.2
Van Damme, S.3
-
41
-
-
58149144568
-
-
F. Feixas, E. Matito, M. Solà , J. Poater, J. Phys. Chem. A 2008, 112, 13231-13238.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 13231-13238
-
-
Feixas, F.1
Matito, E.2
Solã, M.3
Poater, J.4
-
42
-
-
79952192924
-
-
F. Feixas, E. Matito, M. Duran, J. Poater, M. Solà , Theor. Chem. Acc. 2011, 128, 419-431.
-
(2011)
Theor. Chem. Acc.
, vol.128
, pp. 419-431
-
-
Feixas, F.1
Matito, E.2
Duran, M.3
Poater, J.4
Solã, M.5
-
43
-
-
77951115886
-
-
F. Feixas, J. O. C. Jimenez-Halla, E. Matito, J. Poater, M. Solà , J. Chem. Theory Comput. 2010, 6, 1118-1130.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 1118-1130
-
-
Feixas, F.1
Jimenez-Halla, J.O.C.2
Matito, E.3
Poater, J.4
Solã, M.5
-
44
-
-
84855179084
-
-
M. Solà , F. Feixas, J. O. C. Jimenez-Halla, E. Matito, J. Poater, Symmetry 2010, 2, 1156-1179.
-
(2010)
Symmetry
, vol.2
, pp. 1156-1179
-
-
Solã, M.1
Feixas, F.2
Jimenez-Halla, J.O.C.3
Matito, E.4
Poater, J.5
-
45
-
-
29144468146
-
-
M. Güell, J. Poater, J. M. Luis, O. Mõ, M. Yáñez, M. Solà , ChemPhysChem 2005, 6, 2552-2561.
-
(2005)
ChemPhysChem
, vol.6
, pp. 2552-2561
-
-
Güell, M.1
Poater, J.2
Luis, J.M.3
Mõ, O.4
Yáñez, M.5
Solã, M.6
-
46
-
-
37549005984
-
-
P. Bultinck, M. Mandado, R. Mosquera, J. Math. Chem. 2008, 43, 111-118.
-
(2008)
J. Math. Chem.
, vol.43
, pp. 111-118
-
-
Bultinck, P.1
Mandado, M.2
Mosquera, R.3
-
48
-
-
0345491105
-
-
C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
49
-
-
0000141448
-
-
R. Ditchfield, W. J. Hehre, J. A. Pople, J. Chem. Phys. 1971, 54, 724-728.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724-728
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
50
-
-
0038626673
-
-
revision D.01, 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, V. Bakken, 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, J. A. Pople, 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., 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
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.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, I.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
-
-
78650811281
-
-
Swiss National Supercomputing Centre, Manno, Switzerland
-
U. Varetto, Molekel 5.4.0.8, Swiss National Supercomputing Centre, Manno, Switzerland.
-
Molekel 5.4.0.8
-
-
Varetto, U.1
-
54
-
-
84986513726
-
-
F. W. Biegler-König, R. F. W. Bader, T.-H. Tang, J. Comput. Chem. 1982, 3, 317-328.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317-328
-
-
Biegler-König, F.W.1
Bader, R.F.W.2
Tang, T.-H.3
|