-
5
-
-
14544277755
-
-
(a) Hückel, E. Z Physik 1930, 60, 423;
-
(1930)
Z Physik
, vol.60
, pp. 423
-
-
Hückel, E.1
-
6
-
-
0010762104
-
-
(b) Hückel, E. Z Physik 1931, 60, 204.
-
(1931)
Z Physik
, vol.60
, pp. 204
-
-
Hückel, E.1
-
11
-
-
33746399045
-
-
Moran, D.; Simmonett, A.C.; Leach, F.E.; Allen, W.D.; Schleyer, P.v.R.; Schaeffer III, H.F. J Am Chem Soc 2006, 128, 9342.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 9342
-
-
Moran, D.1
Simmonett, A.C.2
Leach, F.E.3
Allen, W.D.4
Schleyer, P.V.R.5
Schaeffer III, H.F.6
-
19
-
-
0343657716
-
-
(d) Gutman, I.; Milun, M.; Trinastić, N. J Am Chem Soc 1977, 99, 1692.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 1692
-
-
Gutman, I.1
Milun, M.2
Trinastić, N.3
-
20
-
-
25444481873
-
-
(a) Aihara, J.; Kanno, H.; Ishida, T. J Am Chem Soc 2005, 127, 13324;
-
(2005)
J Am Chem Soc
, vol.127
, pp. 13324
-
-
Aihara, J.1
Kanno, H.2
Ishida, T.3
-
22
-
-
46249126399
-
-
Tarko, L. Arkivoc 2008, XI, 24.
-
(2008)
Arkivoc
, vol.11
, pp. 24
-
-
Tarko, L.1
-
23
-
-
0039043510
-
-
(a) Balaban, A.T.; Biermann, D.; Schmidt, W. Nuov J Chim 1985, 9, 443;
-
(1985)
Nuov J Chim
, vol.9
, pp. 443
-
-
Balaban, A.T.1
Biermann, D.2
Schmidt, W.3
-
24
-
-
27744525305
-
-
(b) Balaban, A.T.; Schleyer, P.v.R.; Rzepa, H.S. Chem Rev 2005, 105, 3436;
-
(2005)
Chem Rev
, vol.105
, pp. 3436
-
-
Balaban, A.T.1
Schleyer, P.V.R.2
Rzepa, H.S.3
-
25
-
-
65249134407
-
-
(c) Ciesielski, A.; Krygowski, T.M.; Cyranski, M.K.; Dobrowolski, M.A.; Balaban, A.T. J Chem Inf Model 2009, 49, 369.
-
(2009)
J Chem Inf Model
, vol.49
, pp. 369
-
-
Ciesielski, A.1
Krygowski, T.M.2
Cyranski, M.K.3
Dobrowolski, M.A.4
Balaban, A.T.5
-
26
-
-
0004188383
-
-
Oxford University Press, Preface
-
McWeeny, R. Coulson's Valence, Oxford University Press, 1979, Preface.
-
(1979)
Coulson's Valence
-
-
McWeeny, R.1
-
27
-
-
36749117171
-
-
(a) Parr, R.G.; Donnelly, R.A.; Levy, M.; Palke, W.E. J Chem Phys 1978, 68, 3801;
-
(1978)
J Chem Phys
, vol.68
, pp. 3801
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
28
-
-
0004123598
-
-
Springer, Berlin
-
(b) Sen, K.D.; Jørgenson, C.D. (eds.) Structure and Bonding, Springer, Berlin, 1987, vol. 66;
-
(1987)
Structure and Bonding
, vol.66
-
-
Sen, K.D.1
Jørgenson, C.D.2
-
29
-
-
33645295620
-
-
Dissertation.com, Parkland, Florida, USA
-
(c) Putz, M.V. Contributions within Density Functional Theory with Applications to Chemical Reactivity Theory and Electronegativity, Dissertation.com, Parkland, Florida, USA, 2003;
-
(2003)
Contributions Within Density Functional Theory with Applications to Chemical Reactivity Theory and Electronegativity
-
-
Putz, M.V.1
-
33
-
-
79951939846
-
-
M.V. Putz, Ed., Nova Science Publishers, New York, Chapter 11 (in press)
-
(k) M.V. Putz, in Quantum Frontiers of Atoms and Molecules, M.V. Putz, Ed., Nova Science Publishers, New York, 2010, Chapter 11 (in press).
-
(2010)
Quantum Frontiers of Atoms and Molecules
-
-
Putz, M.V.1
-
35
-
-
0004123598
-
-
Springer, Berlin
-
(b) Sen, K.D.; Mingos, D.M.P. (Eds.) Structure and Bonding, Springer, Berlin, 1993, vol. 80;
-
(1993)
Structure and Bonding
, vol.80
-
-
Sen, K.D.1
Mingos, D.M.P.2
-
39
-
-
33846702704
-
-
Chattaraj, P.K.; Sarkar, U.; Roy, D.R. J Chem Educ 2007, 84, 354.
-
(2007)
J Chem Educ
, vol.84
, pp. 354
-
-
Chattaraj, P.K.1
Sarkar, U.2
Roy, D.R.3
-
42
-
-
2342458241
-
-
(c) Putz, M.V.; Russo, N.; Sicilia, E. J Comput Chem 2004, 25, 994.
-
(2004)
J Comput Chem
, vol.25
, pp. 994
-
-
Putz, M.V.1
Russo, N.2
Sicilia, E.3
-
43
-
-
0000080818
-
-
(a) Chattaraj, P.K.; Lee, H.; Parr, R.G. J Am Chem Soc 1991, 113, 1855;
-
(1991)
J Am Chem Soc
, vol.113
, pp. 1855
-
-
Chattaraj, P.K.1
Lee, H.2
Parr, R.G.3
-
47
-
-
79951896843
-
-
E.O. Hoffman, Ed., Nova Science Publishers, New York, Chapter 1
-
Mandado, M.; Moa, M.J.G.; Mosquera, R.A. in Progress in Quantum Chemistry Research, E.O. Hoffman, Ed., Nova Science Publishers, New York, 2007, Chapter 1.
-
(2007)
Progress in Quantum Chemistry Research
-
-
Mandado, M.1
Moa, M.J.G.2
Mosquera, R.A.3
-
48
-
-
0000345199
-
-
(a) Katritzky, A.R.; Karelson, M.; Sild, S.; Krygowski, T.M.; Jug, K. J Org Chem 1998, 63, 5228;
-
(1998)
J Org Chem
, vol.63
, pp. 5228
-
-
Katritzky, A.R.1
Karelson, M.2
Sild, S.3
Krygowski, T.M.4
Jug, K.5
-
49
-
-
0037154717
-
-
(b) Cyrański, M.K.; Krygowski, T.M.; Katritzky, A.R.; Schleyer, P.v.R. J Org Chem 2002, 67, 1333.
-
(2002)
J Org Chem
, vol.67
, pp. 1333
-
-
Cyrański, M.K.1
Krygowski, T.M.2
Katritzky, A.R.3
Schleyer, P.V.R.4
-
51
-
-
33845378399
-
-
(b) Mortier, W.J.; Genechten, K.V.; Gasteiger, J. J Am Chem Soc 1985, 107, 829.
-
(1985)
J Am Chem Soc
, vol.107
, pp. 829
-
-
Mortier, W.J.1
Genechten, K.V.2
Gasteiger, J.3
-
54
-
-
33845378183
-
-
(a) Berkowitz, M.; Ghosh, S.K.; Parr, R.G. J Am Chem Soc 1985, 107, 6811;
-
(1985)
J Am Chem Soc
, vol.107
, pp. 6811
-
-
Berkowitz, M.1
Ghosh, S.K.2
Parr, R.G.3
-
57
-
-
36449005998
-
-
(d) Baekelandt, B.G.; Cedillo, A.; Parr, R.G. J Chem Phys 1995, 103, 8548;
-
(1995)
J Chem Phys
, vol.103
, pp. 8548
-
-
Baekelandt, B.G.1
Cedillo, A.2
Parr, R.G.3
-
58
-
-
0031209414
-
-
(e) De Proft, F.; Liu, S.; Parr, R.G. J Chem Phys 1997, 107, 3000.
-
(1997)
J Chem Phys
, vol.107
, pp. 3000
-
-
De Proft, F.1
Liu, S.2
Parr, R.G.3
-
63
-
-
0035147784
-
-
(b) Sentilkumar, K.; Ramaswamy, M.; Kolandaivel, P. Int J Quantum Chem 2001, 81, 4.
-
(2001)
Int J Quantum Chem
, vol.81
, pp. 4
-
-
Sentilkumar, K.1
Ramaswamy, M.2
Kolandaivel, P.3
-
75
-
-
79951903302
-
-
Putz, M.V. (Ed.), Transworld Research Network, Kerala, Chapter 15
-
Putz, M.V.; Duda-Seiman, D.; Mancaş, S.; Duda-Seiman, C.; Lacrǎmǎ, A.-M. in Advances in Quantum Chemical Bonding Structures, Putz, M.V. (Ed.), Transworld Research Network, Kerala, 2008, Chapter 15.
-
(2008)
Advances in Quantum Chemical Bonding Structures
-
-
Putz, M.V.1
Duda-Seiman, D.2
Mancaş, S.3
Duda-Seiman, C.4
Lacrǎmǎ, A.-M.5
-
78
-
-
0842341771
-
-
(a) Dewar, M.J.S.; Zoebisch, E.G.; Healy, E.F.; Stewart, J.J.P. J Am Chem Soc 1985, 107, 3902;
-
(1985)
J Am Chem Soc
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
79
-
-
0027223591
-
-
(b) Dewar, M.J.S.; Jie, C.; Yu., J. Tetrahedron 1993, 49, 5003;
-
(1993)
Tetrahedron
, vol.49
, pp. 5003
-
-
Dewar, M.J.S.1
Jie, C.2
Yu, J.3
-
80
-
-
33745597056
-
-
(c) Rocha, G.B.; Freire, R.O.; Simas, A.M.; Stewart, J.J.P. J Comput Chem 2006, 27, 1101.
-
(2006)
J Comput Chem
, vol.27
, pp. 1101
-
-
Rocha, G.B.1
Freire, R.O.2
Simas, A.M.3
Stewart, J.J.P.4
-
83
-
-
33744999137
-
-
(c) Freire, R.O.; Rocha, G. B.; Simas, A.M. Chem Phys Lett 2006, 425, 138.
-
(2006)
Chem Phys Lett
, vol.425
, pp. 138
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
84
-
-
56349109924
-
-
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y. J Phys Chem Ref Data 2008, 37, 1855.
-
(2008)
J Phys Chem Ref Data
, vol.37
, pp. 1855
-
-
Roux, M.V.1
Temprado, M.2
Chickos, J.S.3
Nagano, Y.4
-
85
-
-
0011190497
-
-
(a) Schleyer, P.v.R.; Maerker, C.; Dransfeld, A.; Jiao, H.; Eikema Hommes, N.J.R.v. J Am Chem Soc 1996, 118, 6317;
-
(1996)
J Am Chem Soc
, vol.118
, pp. 6317
-
-
Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Eikema Hommes, N.J.R.V.5
-
86
-
-
27744530363
-
-
(b) 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, P.V.R.5
-
87
-
-
46449115855
-
-
(c) Feixas, F.; Matito, E.; Poater, J.; Solà, M. J Comput Chem 2008, 29, 1543;
-
(2008)
J Comput Chem
, vol.29
, pp. 1543
-
-
Feixas, F.1
Matito, E.2
Poater, J.3
Solà, M.4
-
88
-
-
71749098940
-
-
(d) Ciesielski, A.; Krygowski, T.M.; Cyrański, M.K.; Dobrowolski, M.A.; Aihara, J Phys Chem Chem Phys 2009, 11, 11447.
-
(2009)
Phys Chem Chem Phys
, vol.11
, pp. 11447
-
-
Ciesielski, A.1
Krygowski, T.M.2
Cyrański, M.K.3
Dobrowolski, M.A.4
Aihara, J.5
-
89
-
-
33947315480
-
-
(a) Dauben, H.J.Jr.; Wilson, J.D.; Laity, J.L. J Am Chem Soc 1968, 90, 811;
-
(1968)
J Am Chem Soc
, vol.90
, pp. 811
-
-
Dauben Jr., H.J.1
Wilson, J.D.2
Laity, J.L.3
-
90
-
-
0004074749
-
-
Snyder, J.P. (ed.) Academic Press, New York
-
(b) Dauben, H.J.Jr.; Wilson, J.D.; Laity, J.L. in Nonbenzenoid Aromatics, Snyder, J.P. (ed.) Academic Press, New York, 1971, Vol. 2;
-
(1971)
Nonbenzenoid Aromatics
, vol.2
-
-
Dauben Jr., H.J.1
Wilson, J.D.2
Laity, J.L.3
-
92
-
-
11844284179
-
-
Hypercube, Inc. Program package, Semiempirical, AM1, Polak-Ribier optimization procedure
-
Hypercube, Inc. (2002) HyperChem 7.01 [Program package, Semiempirical, AM1, Polak-Ribier optimization procedure].
-
(2002)
HyperChem 7.01
-
-
-
94
-
-
84987067987
-
-
(a) Carbo, R.; Arnau, M.; Leyda, L. Int J Quantum Chem 1980, 17, 1185;
-
(1980)
Int J Quantum Chem
, vol.17
, pp. 1185
-
-
Carbo, R.1
Arnau, M.2
Leyda, L.3
-
95
-
-
0002375313
-
-
(b) Besalú, E.; Carbó, R.; Mestres, J.; Solà, M. Top Curr Chem 1995, 173, 31;
-
(1995)
Top Curr Chem
, vol.173
, pp. 31
-
-
Besalú, E.1
Carbó, R.2
Mestres, J.3
Solà, M.4
-
96
-
-
0000611083
-
-
(c) Solà, M.; Mestres, J.; Carbó, R.; Duran, M. J Am Chem Soc 1994, 116, 5909;
-
(1994)
J Am Chem Soc
, vol.116
, pp. 5909
-
-
Solà, M.1
Mestres, J.2
Carbó, R.3
Duran, M.4
-
97
-
-
0035889761
-
-
(d) Poater, J.; Duran, M.; Solà, M. J Comput Chem 2001, 22, 1666.
-
(2001)
J Comput Chem
, vol.22
, pp. 1666
-
-
Poater, J.1
Duran, M.2
Solà, M.3
-
99
-
-
0027946619
-
-
London
-
(b) Silvi, B.; Savin, A. Nature (London) 1994, 371, 683;
-
(1994)
Nature
, vol.371
, pp. 683
-
-
Silvi, B.1
Savin, A.2
-
101
-
-
3442882487
-
-
(d) Scemama, A.; Chaquin, P.; Caffarel, M. J Chem Phys 2004, 121, 1725;
-
(2004)
J Chem Phys
, vol.121
, pp. 1725
-
-
Scemama, A.1
Chaquin, P.2
Caffarel, M.3
-
103
-
-
16644389175
-
-
(f) Santos, J.C.; Andres, J.L.; Aizman, A.; Fuentealba, P. J Chem Theor Comput 2005, 1, 83.
-
(2005)
J Chem Theor Comput
, vol.1
, pp. 83
-
-
Santos, J.C.1
Andres, J.L.2
Aizman, A.3
Fuentealba, P.4
-
104
-
-
0034254102
-
-
(a) 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
-
105
-
-
22544482677
-
-
(b) 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
-
107
-
-
0037416698
-
-
(d) 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
-
108
-
-
84875231725
-
-
(e) Chem-Eur J, 400;
-
Chem-Eur J
, pp. 400
-
-
-
109
-
-
23644454377
-
-
(f) Matito, E.; Poater, J.; Duran, M.; Solà, M. J Mol Struct (Theochem) 2005, 727, 165;
-
(2005)
J Mol Struct (Theochem)
, vol.727
, pp. 165
-
-
Matito, E.1
Poater, J.2
Duran, M.3
Solà, M.4
-
110
-
-
22944465467
-
-
(g) 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
-
111
-
-
34547528768
-
-
(h) Cioslowski, J.; Matito, E.; Solà, M. J Phys Chem A, 2007, 111, 6521.
-
(2007)
J Phys Chem A
, vol.111
, pp. 6521
-
-
Cioslowski, J.1
Matito, E.2
Solà, M.3
|