-
1
-
-
78651349439
-
-
P. Su, J. Wu, J. Gu, W. Wu, S. Shaik, P. C. Hiberty, J. Chem. Theory Comput. 2011, 7, 121-130.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 121-130
-
-
Su, P.1
Wu, J.2
Gu, J.3
Wu, W.4
Shaik, S.5
Hiberty, P.C.6
-
2
-
-
0004107550
-
-
Inter alia:, (6th Edition), Prentice Hall, Upper Saddle River.
-
Inter alia:, I. N. Levine, Quantum Chemistry (6th Edition), Prentice Hall, Upper Saddle River, 2008.
-
(2008)
Quantum Chemistry
-
-
Levine, I.N.1
-
4
-
-
84874590379
-
-
(Archived by WebCite at http://www.webcitation.org/5zBSjBjhM).
-
H. S. Rzepa, http://www.ch.imperial.ac.uk/rzepa/blog/?p=3065 (Archived by WebCite at http://www.webcitation.org/5zBSjBjhM).
-
-
-
Rzepa, H.S.1
-
5
-
-
84874641704
-
-
http://www.compchemhighlights.org/.
-
-
-
-
9
-
-
84874644445
-
-
(Archived by WebCite at http://www.webcitation.org/67oxNNmHN).
-
H. S. Rzepa, http://www.ch.imperial.ac.uk/rzepa/blog/?p=439 (Archived by WebCite at http://www.webcitation.org/67oxNNmHN).
-
-
-
Rzepa, H.S.1
-
10
-
-
84874585381
-
-
See http://dx.doi.org/10042/to-6255. For details of this resource
-
-
-
-
11
-
-
52049123819
-
-
J. Downing, P. Murray-Rust, A. P. Tonge, P. Morgan, H. S. Rzepa, F. Cotterill, N. Day, M. J. Harvey, J. Chem. Inf. Model. 2008, 48, 1571-1581.
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 1571-1581
-
-
Downing, J.1
Murray-Rust, P.2
Tonge, A.P.3
Morgan, P.4
Rzepa, H.S.5
Cotterill, F.6
Day, N.7
Harvey, M.J.8
-
12
-
-
69249119051
-
-
W. Wu, J. Gu, J. Song, S. Shaik, P. C. Hiberty, Angew. Chem. 2009, 121, 1435-1438
-
(2009)
Angew. Chem.
, vol.121
, pp. 1435-1438
-
-
Wu, W.1
Gu, J.2
Song, J.3
Shaik, S.4
Hiberty, P.C.5
-
13
-
-
84874585619
-
-
Angew. Chem. Int. Ed. 2008, 48, 1407-1410.
-
(2008)
Angew. Chem. Int. Ed.
, vol.48
, pp. 1407-1410
-
-
-
14
-
-
84863116336
-
-
S. Shaik, D. Danovich, W. Wu, P. Su, H. S. Rzepa, P. C. Hiberty, Nat. Chem. 2012, 4, 195-200.
-
(2012)
Nat. Chem.
, vol.4
, pp. 195-200
-
-
Shaik, S.1
Danovich, D.2
Wu, W.3
Su, P.4
Rzepa, H.S.5
Hiberty, P.C.6
-
19
-
-
84874629052
-
-
A. Extance, http://www.rsc.org/chemistryworld/News/2012/January/carbon- carbon-quadruple-bond.asp.
-
-
-
Extance, A.1
-
20
-
-
0027518170
-
-
P. v. R. Schleyer, P. Maslak, J. Chandrasekhar, R. Grev, Tetrahedron Lett. 1993, 34, 6387-6390.
-
(1993)
Tetrahedron Lett.
, vol.34
, pp. 6387-6390
-
-
Schleyer V. P, R.1
Maslak, P.2
Chandrasekhar, J.3
Grev, R.4
-
21
-
-
33744909082
-
-
E. D. Jemmis, B. Pathak, R. B. King, H. F. Schaefer III, Chem. Commun. 2006, 2164-2166.
-
(2006)
Chem. Commun.
, pp. 2164-2166
-
-
Jemmis, E.D.1
Pathak, B.2
King, R.B.3
Schaefer III, H.F.4
-
29
-
-
70349706051
-
-
Y. Kitagawa, Y. Nakanishi, T. Saito, T. Kawakami, M. Okumura, K. Yamaguchi, Int. J. Quantum Chem. 2009, 109, 3315-3324
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 3315-3324
-
-
Kitagawa, Y.1
Nakanishi, Y.2
Saito, T.3
Kawakami, T.4
Okumura, M.5
Yamaguchi, K.6
-
30
-
-
77950125756
-
-
B. Xu, Q.-S. Li, Y. Xie, R. B. King, H. F. Schaefer III, J. Chem. Theory Comput. 2010, 6, 735-746.
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 735-746
-
-
Xu, B.1
Li, Q.-S.2
Xie, Y.3
King, R.B.4
Schaefer III, H.F.5
-
31
-
-
84874644089
-
-
http://en.wikiquote.org/wiki/James-McNeill-Whistler.
-
-
-
-
32
-
-
0000980241
-
-
A. J. C. Varandas in Ref. [21]
-
P. F. Fougere, R. K. Nesbet, J. Chem. Phys. 1966, 44, 285-299. For more up-to-date potential energy surfaces, see A. J. C. Varandas in Ref. [21]
-
(1966)
J. Chem. Phys.
, vol.44
, pp. 285-299
-
-
Fougere, P.F.1
Nesbet, R.K.2
-
34
-
-
0035353542
-
-
S. Shaik, A. Shurki, D. Danovich, P. C. Hiberty, Chem. Rev. 2001, 101, 1501-1540.
-
(2001)
Chem. Rev.
, vol.101
, pp. 1501-1540
-
-
Shaik, S.1
Shurki, A.2
Danovich, D.3
Hiberty, P.C.4
-
35
-
-
84874602334
-
-
(Archived by WebCite at http://www.webcitation.org/67p51WWIk)
-
H. S. Rzepa, http://www.ch.imperial.ac.uk/rzepa/blog/?p=485 (Archived by WebCite at http://www.webcitation.org/67p51WWIk).
-
-
-
Rzepa, H.S.1
-
36
-
-
0000152743
-
-
S. Shaik, A. Shurki, D. Danovich, P. C. Hiberty, J. Am. Chem. Soc. 1996, 118, 666-671.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 666-671
-
-
Shaik, S.1
Shurki, A.2
Danovich, D.3
Hiberty, P.C.4
-
37
-
-
0000984314
-
-
M. Kaupp, B. Metz, H. Stoll, Angew. Chem. 2000, 112, 4780-4782
-
(2000)
Angew. Chem.
, vol.112
, pp. 4780-4782
-
-
Kaupp, M.1
Metz, B.2
Stoll, H.3
-
38
-
-
0034671862
-
-
Angew. Chem. Int. Ed. 2000, 39, 4607-4609.
-
(2000)
Angew. Chem. Int. Ed.
, vol.39
, pp. 4607-4609
-
-
-
40
-
-
0003445814
-
-
Primo Levi, in his marvelous biography cum history asks, in a moment of disillusionment with chemistry, "Where are theorems of chemistry?", Shocken Books, New York, p.
-
Primo Levi, in his marvelous biography cum history asks, in a moment of disillusionment with chemistry, "Where are theorems of chemistry?", P. Levi, The Periodic Table, Shocken Books, New York, 1984, p. 52.
-
(1984)
The Periodic Table
, pp. 52
-
-
Levi, P.1
-
41
-
-
0003620473
-
-
Academic Press, New York, 102.
-
W. L. Jorgensen, L. Salem, The Organic Chemist's Book of Orbitals, Academic Press, New York, 1973, pp. 99-102.
-
(1973)
The Organic Chemist's Book of Orbitals
, pp. 99
-
-
Jorgensen, W.L.1
Salem, L.2
-
42
-
-
0024931085
-
-
references therein.
-
W. Jeitschko, M. H. Gerss, R. Hoffmann, S. Lee, J. Less-Common Met. 1989, 156, 397-412, and references therein.
-
(1989)
J. Less-Common Met.
, vol.156
, pp. 397-412
-
-
Jeitschko, W.1
Gerss, M.H.2
Hoffmann, R.3
Lee, S.4
-
45
-
-
0039486345
-
-
J. R. Long, J.-F. Halet, J.-Y. Saillard, R. Hoffmann, H.- J. Meyer, New J. Chem. 1992, 16, 839-846
-
(1992)
New J. Chem.
, vol.16
, pp. 839-846
-
-
Long, J.R.1
Halet, J.-F.2
Saillard, J.-Y.3
Hoffmann, R.4
Meyer, H.-J.5
-
47
-
-
0011429044
-
-
E. F. Merschrod, S. H. Tang, R. Hoffmann, Z. Naturforsch. B 1998, 53, 322.
-
(1998)
Z. Naturforsch. B
, vol.53
, pp. 322
-
-
Merschrod, E.F.1
Tang, S.H.2
Hoffmann, R.3
-
48
-
-
0003691440
-
-
(Ed.: W. T. Borden), Wiley, New York.
-
Diradicals (Ed.:, W. T. Borden,), Wiley, New York, 1982.
-
(1982)
Diradicals
-
-
-
49
-
-
70350129752
-
-
S. Shaik, Z. Chen, W. Wu, A. Stanger, D. Danovich, P. C. Hiberty, ChemPhysChem 2009, 10, 2658-2669.
-
(2009)
ChemPhysChem
, vol.10
, pp. 2658-2669
-
-
Shaik, S.1
Chen, Z.2
Wu, W.3
Stanger, A.4
Danovich, D.5
Hiberty, P.C.6
-
50
-
-
79954471957
-
-
E. Ploshnik, D. Danovich, P. C. Hiberty, S. Shaik, J. Chem. Theory Comput. 2011, 7, 955-968.
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 955-968
-
-
Ploshnik, E.1
Danovich, D.2
Hiberty, P.C.3
Shaik, S.4
-
52
-
-
78149426135
-
-
N. Takagi, A. Krapp, G. Frenking, Can. J. Chem. 2010, 88, 1079-1093.
-
(2010)
Can. J. Chem.
, vol.88
, pp. 1079-1093
-
-
Takagi, N.1
Krapp, A.2
Frenking, G.3
-
53
-
-
84874601900
-
-
NIST Webbook: http://webbook.nist.gov/chemistry/.
-
NIST Webbook
-
-
-
54
-
-
84860719476
-
-
2 is also very much involved in the formation of fullerenes; see inter alia, A. Rodríguez-Fortea, S. Irle, J. M. Poblet, WIREs Computational Molecular Science 2011, 1, 350-367, and references therein.
-
(2011)
WIREs Computational Molecular Science
, vol.1
, pp. 350-367
-
-
Rodríguez-Fortea, A.1
Irle, S.2
Poblet, J.M.3
-
55
-
-
1442322911
-
-
L. Pasternack, A. P. Baronavski, J. R. McDonald, J. Chem. Phys. 1980, 73, 3508-3511.
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 3508-3511
-
-
Pasternack, L.1
Baronavski, A.P.2
McDonald, J.R.3
-
57
-
-
54249144063
-
-
A. Páramo, A. Canosa, S. Le Picard, I. R. Sims, J. Phys. Chem. A 2008, 112, 9591-9600.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 9591-9600
-
-
Páramo, A.1
Canosa, A.2
Le Picard, S.3
Sims, I.R.4
-
58
-
-
0000840432
-
-
P. S. Skell, L. M. Jackman, S. Ahmed, M. L. McKee, P. B. Shevlin, J. Am. Chem. Soc. 1989, 111, 4422-4429
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4422-4429
-
-
Skell, P.S.1
Jackman, L.M.2
Ahmed, S.3
McKee, M.L.4
Shevlin, P.B.5
-
59
-
-
0024850320
-
-
G. H. Jeong, K. J. Klabunde, O.-G. Pao, G. C. Paul, P. B. Shevlin, J. Am. Chem. Soc. 1989, 111, 8784-8990.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 8784-8990
-
-
Jeong, G.H.1
Klabunde, K.J.2
Pao, O.-G.3
Paul, G.C.4
Shevlin, P.B.5
-
60
-
-
80052854167
-
-
R. I. Kaiser, M. Goswami, P. Maksyutenko, F. Zhang, Y. S. Kim, A. Landera, A. M. Mebel, J. Phys. Chem. A 2011, 115, 10251-10258.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 10251-10258
-
-
Kaiser, R.I.1
Goswami, M.2
Maksyutenko, P.3
Zhang, F.4
Kim, Y.S.5
Landera, A.6
Mebel, A.M.7
-
61
-
-
84861638494
-
-
W. Lai, C. Li, H. Chen, S. Shaik, Angew. Chem. 2012, 124, 5652-5676
-
(2012)
Angew. Chem.
, vol.124
, pp. 5652-5676
-
-
Lai, W.1
Li, C.2
Chen, H.3
Shaik, S.4
-
62
-
-
84861623226
-
-
Angew. Chem. Int. Ed. 2012, 51, 5556-5578.
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 5556-5578
-
-
-
63
-
-
0011693783
-
-
G. A. Creak, F. S. Dainton, K. J. Ivin, Trans. Faraday Soc. 1962, 58, 326-329
-
(1962)
Trans. Faraday Soc.
, vol.58
, pp. 326-329
-
-
Creak, G.A.1
Dainton, F.S.2
Ivin, K.J.3
-
64
-
-
0141652566
-
-
F. S. Dainton, K. J. Ivin, F. Wilkinson, Trans. Faraday Soc. 1959, 55, 929-936
-
(1959)
Trans. Faraday Soc.
, vol.55
, pp. 929-936
-
-
Dainton, F.S.1
Ivin, K.J.2
Wilkinson, F.3
-
66
-
-
65549158815
-
-
references therein.
-
S. M. Remmert, S. T. Banks, D. C. Clary, J. Phys. Chem. A 2009, 113, 4255-4264, and references therein.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 4255-4264
-
-
Remmert, S.M.1
Banks, S.T.2
Clary, D.C.3
-
67
-
-
0000382365
-
-
This species can be generated and trapped, with persistence, inside an appropriate host cavity;, D. J. Cram, M. E. Tanner, R. Thomas, Angew. Chem. 1991, 103, 1048-1051
-
(1991)
Angew. Chem.
, vol.103
, pp. 1048-1051
-
-
Cram, D.J.1
Tanner, M.E.2
Thomas, R.3
-
69
-
-
77954774636
-
-
Such unstable species can, perhaps invariably do, spark creative discussion between experimentalists and theoreticians;, Y. M. Legrand, A. van der Lee, M. Barboiu, Science 2010, 329, 299-302
-
(2010)
Science
, vol.329
, pp. 299-302
-
-
Legrand, Y.M.1
Van Der Lee, A.2
Barboiu, M.3
-
71
-
-
79952714990
-
-
R. T. Boeré, S. Kacprzak, M. Keßler, C. Carsten Knapp, R. Riebau, S. Riedel, T. L. Roemmele, M. Rühle, H. Scherer, S. Weber, Angew. Chem. 2011, 123, 572-575
-
(2011)
Angew. Chem.
, vol.123
, pp. 572-575
-
-
Boeré, R.T.1
Kacprzak, S.2
Keßler, M.3
Carsten Knapp, C.4
Riebau, R.5
Riedel, S.6
Roemmele, T.L.7
Rühle, M.8
Scherer, H.9
Weber, S.10
-
74
-
-
67649531230
-
-
A. Karton, I. Kaminker, J. M. L. Martin, J. Phys. Chem. A 2009, 113, 7610-7620.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7610-7620
-
-
Karton, A.1
Kaminker, I.2
Martin, J.M.L.3
-
75
-
-
84874588199
-
-
and http://kinetics.nist.gov/janaf/html/C-143.html
-
At http://kinetics.nist.gov/janaf/html/C-113.html and http://kinetics.nist.gov/janaf/html/C-143.html.
-
-
-
-
78
-
-
33745326549
-
-
H. Massõ, M. L. Senent, P. Rosmus, M. Hochlaf, J. Chem. Phys. 2006, 124, 234304-234312.
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 234304-234312
-
-
Massõ, H.1
Senent, M.L.2
Rosmus, P.3
Hochlaf, M.4
-
83
-
-
27844570493
-
-
P. G. Szalay, A. Tajti, J. F. Stanton, Mol. Phys. 2005, 103, 2159-2168.
-
(2005)
Mol. Phys.
, vol.103
, pp. 2159-2168
-
-
Szalay, P.G.1
Tajti, A.2
Stanton, J.F.3
|