-
3
-
-
0001585895
-
-
R. J. Loncharich, F. K. Brown, K. N. Houk, J. Org. Chem. 1989, 54, 1129-1134.
-
(1989)
J. Org. Chem
, vol.54
, pp. 1129-1134
-
-
Loncharich, R.J.1
Brown, F.K.2
Houk, K.N.3
-
5
-
-
0024818341
-
-
K. N. Houk, R. J. Loncharich, J. F. Blake, W. L. Jorgensen, J. Am. Chem. Soc. 1989, 711, 9172-9176.
-
(1989)
J. Am. Chem. Soc
, vol.711
, pp. 9172-9176
-
-
Houk, K.N.1
Loncharich, R.J.2
Blake, J.F.3
Jorgensen, W.L.4
-
6
-
-
0000193645
-
-
W. L. Jorgensen, D. Lim, J. F. Blake, J. Am. Chem. Soc. 1993, 115, 2936-2942.
-
(1993)
J. Am. Chem. Soc
, vol.115
, pp. 2936-2942
-
-
Jorgensen, W.L.1
Lim, D.2
Blake, J.F.3
-
8
-
-
0003829752
-
-
Eds, S. Patai, Z. Pappoport Wiley-Interscience, New York
-
K. T. Finley, The Chemistry of Quinonoid Compounds, Vol. 2 (Eds.: S. Patai, Z. Pappoport) Wiley-Interscience, New York, 1988.
-
(1988)
The Chemistry of Quinonoid Compounds
, vol.2
-
-
Finley, K.T.1
-
9
-
-
0000441383
-
-
Y. Naruta, H. Uno, K. Maruyana, Tetrahedron Lett. 1981, 22, 5221-5224.
-
(1981)
Tetrahedron Lett
, vol.22
, pp. 5221-5224
-
-
Naruta, Y.1
Uno, H.2
Maruyana, K.3
-
11
-
-
0034737427
-
-
M. A. Brimble, M. R. Nair, H. Prabaharam, Tetrahedron 2000, 56, 1937-1992.
-
(2000)
Tetrahedron
, vol.56
, pp. 1937-1992
-
-
Brimble, M.A.1
Nair, M.R.2
Prabaharam, H.3
-
12
-
-
37049078222
-
-
J. A. Valderrama, R. Araya-Maturana, M. F. González, R. Tapia, C. Paredes, F. Fariña, J. Chem. Soc. Perkin Trans I 1991, 555-561.
-
(1991)
J. Chem. Soc. Perkin Trans I
, pp. 555-561
-
-
Valderrama, J.A.1
Araya-Maturana, R.2
González, M.F.3
Tapia, R.4
Paredes, C.5
Fariña, F.6
-
14
-
-
33747334685
-
-
R. Araya-Maturana, W. Cardona, B. K. Cassels, T. Delgado-Castro, J. Ferreira, D. Miranda, M. Pavani, H. Pessoa-Mahana, J. Soto-Delgado, B. Weiss-López, Bioorg. Med. Chem. 2006, 14, 4664-4669.
-
(2006)
Bioorg. Med. Chem
, vol.14
, pp. 4664-4669
-
-
Araya-Maturana, R.1
Cardona, W.2
Cassels, B.K.3
Delgado-Castro, T.4
Ferreira, J.5
Miranda, D.6
Pavani, M.7
Pessoa-Mahana, H.8
Soto-Delgado, J.9
Weiss-López, B.10
-
15
-
-
67649961629
-
-
F. B. H. Ahnad, J. M. Bruce, J. Khalaf, K. Pejonovic, K. Sabetian, I. Walt, J. Chem. Soc., Chem. Commun. 1981, 166-169.
-
(1981)
J. Chem. Soc., Chem. Commun
, pp. 166-169
-
-
Ahnad, F.B.H.1
Bruce, J.M.2
Khalaf, J.3
Pejonovic, K.4
Sabetian, K.5
Walt, I.6
-
17
-
-
0029147109
-
-
L. R. Domingo, R. A. Jones, M. T. Picher, J. Sepúlveda- Arqués, Tetrahedron 1995, 51, 8739-8748.
-
(1995)
Tetrahedron
, vol.51
, pp. 8739-8748
-
-
Domingo, L.R.1
Jones, R.A.2
Picher, M.T.3
Sepúlveda- Arqués, J.4
-
18
-
-
0001317836
-
-
L. R. Domingo, M. T. Picher, J. Andrés, V. S. Safont, J. Org. Chem. 1997, 62, 1775-1778.
-
(1997)
J. Org. Chem
, vol.62
, pp. 1775-1778
-
-
Domingo, L.R.1
Picher, M.T.2
Andrés, J.3
Safont, V.S.4
-
19
-
-
0033529818
-
-
L. R. Domingo, M. Arnó, J. Andrés, J. Org. Chem. 1999, 64, 5867-5875.
-
(1999)
J. Org. Chem
, vol.64
, pp. 5867-5875
-
-
Domingo, L.R.1
Arnó, M.2
Andrés, J.3
-
23
-
-
0037074619
-
-
L. R. Domingo, M. Arno, R. Contreras, P. Perez, J. Phys. Chem. A 2002, 106,952-961.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 952-961
-
-
Domingo, L.R.1
Arno, M.2
Contreras, R.3
Perez, P.4
-
24
-
-
0040942563
-
-
R. G. Parr, L. von Szentpaly, S. Liu, J. Am. Chem. Soc. 1999, 121, 1922-1924.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 1922-1924
-
-
Parr, R.G.1
von Szentpaly, L.2
Liu, S.3
-
25
-
-
0037181996
-
-
L. R. Domingo, M. J. Aurell, P. Pérez, R. Contreras, Tetrahedron 2002, 58, 4417-4423.
-
(2002)
Tetrahedron
, vol.58
, pp. 4417-4423
-
-
Domingo, L.R.1
Aurell, M.J.2
Pérez, P.3
Contreras, R.4
-
26
-
-
34249813291
-
-
Ed, A. Toro-Labbé Elsevier Science, Oxford, UK
-
P. Pérez, L. R. Domingo, A. Aizman, R. Contreras, In: Theoretical Aspects of Chemical Reactivity, Vol. 19 (Ed.: A. Toro-Labbé) Elsevier Science, 2007. Oxford, UK. 167-238.
-
(2007)
Theoretical Aspects of Chemical Reactivity
, vol.19
, pp. 167-238
-
-
Pérez, P.1
Domingo, L.R.2
Aizman, A.3
Contreras, R.4
-
28
-
-
0003611623
-
Chemical Hardness
-
Wiley-VHC, Verlag GMBH, Weinheim, Germany
-
R. G. Pearson, Chemical Hardness, Applications From Molecules to Solids, Wiley-VHC, Verlag GMBH, Weinheim, Germany, 1997.
-
(1997)
Applications From Molecules to Solids
-
-
Pearson, R.G.1
-
29
-
-
0037173332
-
-
L. R. Domingo, M. J. Aurell, P. Pérez, R. Contreras, J. Phys. Chem. A 2002, 106, 6871-6875.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 6871-6875
-
-
Domingo, L.R.1
Aurell, M.J.2
Pérez, P.3
Contreras, R.4
-
32
-
-
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
-
33
-
-
84873055189
-
-
Wiley, New York
-
W J. Hehre, L. Radom, Pv. R. Schleyer, J. A. Pople, Ab initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.R.3
Pople, J.A.4
-
35
-
-
0003354199
-
Geometry Optimization on Potential Energy Surface
-
Ed, D. R. Yarkony World Scientific Publishing: Singapore
-
H. B. Schlegel, Geometry Optimization on Potential Energy Surface. In Modern Electronic Structure Theory, (Ed.: D. R. Yarkony) World Scientific Publishing: Singapore, 1994.
-
(1994)
Modern Electronic Structure Theory
-
-
Schlegel, H.B.1
-
39
-
-
67649958404
-
-
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
-
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 C.02, Gaussian, Inc., Wallingford CT, 2004.
-
-
-
-
41
-
-
36148995600
-
-
A. E. Reed, R. B. Weinstock, F. Weinhold, J. Chem. Phys. 1985, 83, 735-746.
-
(1985)
J. Chem. Phys
, vol.83
, pp. 735-746
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
42
-
-
0011083499
-
-
A. E. Reed, L. A. Curtiss, F. Weinhold, Chem. Rev. 1988, 88, 899-926.
-
(1988)
Chem. Rev
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
44
-
-
0031209054
-
-
M. T. Cances, V. Mennunci, J. Tomasi, J. Chem. Phys. 1997, 107, 3032-3041.
-
(1997)
J. Chem. Phys
, vol.107
, pp. 3032-3041
-
-
Cances, M.T.1
Mennunci, V.2
Tomasi, J.3
-
45
-
-
84962359221
-
-
M. Cossi, V. Barone, R. Cammi, J. Tomasi, Chem. Phys. Lett. 1996, 255, 327-335.
-
(1996)
Chem. Phys. Lett
, vol.255
, pp. 327-335
-
-
Cossi, M.1
Barone, V.2
Cammi, R.3
Tomasi, J.4
-
46
-
-
84962428785
-
-
V. Barone, M. Cossi, J. Tomasi, J. Comput. Chem. 1998, 19, 404-417.
-
(1998)
J. Comput. Chem
, vol.19
, pp. 404-417
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
47
-
-
21744440556
-
-
P. Arroyo, M. T. Picher, L. R. Domingo, F. Terrier, Tetrahedron 2005, 61, 7359-7365.
-
(2005)
Tetrahedron
, vol.61
, pp. 7359-7365
-
-
Arroyo, P.1
Picher, M.T.2
Domingo, L.R.3
Terrier, F.4
-
50
-
-
0038661201
-
-
P. Geerlings, F. De Proft, W Langenaeker, Chem. Rev. 2003, 103, 1793-1874.
-
(2003)
Chem. Rev
, vol.103
, pp. 1793-1874
-
-
Geerlings, P.1
De Proft, F.2
Langenaeker, W.3
-
51
-
-
33845249505
-
-
D. H. Ess, G. O. Jones, K. N. Houk, Adv. Synth. Catal. 2006, 348, 2337-2361.
-
(2006)
Adv. Synth. Catal
, vol.348
, pp. 2337-2361
-
-
Ess, D.H.1
Jones, G.O.2
Houk, K.N.3
-
52
-
-
0030018945
-
-
E. Goldstein, B. Beno, K. N. Houk, J. Am. Chem. Soc. 1996, 118, 6036-6043.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 6036-6043
-
-
Goldstein, E.1
Beno, B.2
Houk, K.N.3
-
53
-
-
67649933723
-
-
The B3LYP/6-31PG(d, p) total energies of TS13no and TS13nm are -729.440191 and -729.431412, respectively.
-
The B3LYP/6-31PG(d, p) total energies of TS13no and TS13nm are -729.440191 and -729.431412, respectively.
-
-
-
|