-
1
-
-
0001067061
-
-
Williams, M. B.; Campuzano-Jost, P.; Bauer, D.; Hynes, A. J. Chem. Phys. Lett. 2001, 344, 61.
-
(2001)
Chem. Phys. Lett.
, vol.344
, pp. 61
-
-
Williams, M.B.1
Campuzano-Jost, P.2
Bauer, D.3
Hynes, A.J.4
-
2
-
-
0033572265
-
-
Arsene, C.; Barnes, I.; Becker, K. H. Phys. Chem. Chem. Phys. 1999, 1, 5463.
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 5463
-
-
Arsene, C.1
Barnes, I.2
Becker, K.H.3
-
4
-
-
33748657125
-
-
Silvente, E.; Richter, R. C.; Hynes, A. J. J. Chem. Soc., Faraday Trans. 1997, 93, 2821.
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 2821
-
-
Silvente, E.1
Richter, R.C.2
Hynes, A.J.3
-
5
-
-
33748657125
-
-
Silvente, E.; Richter, R. C.; Hynes, A. J. J. Chem. Soc., Faraday Trans. 1997, 93, 2821.
-
(1997)
J. Chem. Soc., Faraday Trans.
, vol.93
, pp. 2821
-
-
Silvente, E.1
Richter, R.C.2
Hynes, A.J.3
-
6
-
-
0003309954
-
Reaction mechanisms in atmospheric chemistry: Kinetic studies of hydroxyl radical mechanisms
-
Clark, R. \J. H., Hester, \R. \E., Eds.; Wiley & Sons: New York
-
Hynes, A. J. Reaction Mechanisms in Atmospheric Chemistry: Kinetic Studies of Hydroxyl Radical Mechanisms. In Spectroscopy in Environmental Sciences; Clark, R. \J. H., Hester, \R. \E., Eds.; Wiley & Sons: New York, 1995.
-
(1995)
Spectroscopy in Environmental Sciences
-
-
Hynes, A.J.1
-
7
-
-
0001485892
-
-
Hynes, A. J.; Stoker, R. B.; Pounds, A. J.; McKay, T.; Bradshaw, J. D.; Nicovich, J. M.; Wine, P. H. J. Phys. Chem. 1995, 99, 16967.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 16967
-
-
Hynes, A.J.1
Stoker, R.B.2
Pounds, A.J.3
McKay, T.4
Bradshaw, J.D.5
Nicovich, J.M.6
Wine, P.H.7
-
8
-
-
0002297821
-
-
Stickel, R. E.; Zhao, Z.; Wine, P. H. Chem. Phys. Lett. 1993, 212, 312.
-
(1993)
Chem. Phys. Lett.
, vol.212
, pp. 312
-
-
Stickel, R.E.1
Zhao, Z.2
Wine, P.H.3
-
10
-
-
0001440810
-
-
Chatgilialoglu, C., Asmus, K.-\D., Eds.; Plenum Press: New York and London
-
(a) Asmus, K.-D. In Sulfur-Centered Reactive Intermediates in Chemistry and Biology; Chatgilialoglu, C., Asmus, K.-\D., Eds.; Plenum Press: New York and London, 1990; p 155.
-
(1990)
Sulfur-Centered Reactive Intermediates in Chemistry and Biology
, pp. 155
-
-
Asmus, K.-D.1
-
11
-
-
0001596658
-
-
Gawandi, V. B.; Mohan, H.; Mittal, J. P. J. Chem. Soc., Perkin Trans. 2 1999, 1425.
-
(1999)
J. Chem. Soc., Perkin Trans. 2
, pp. 1425
-
-
Gawandi, V.B.1
Mohan, H.2
Mittal, J.P.3
-
12
-
-
0000467504
-
-
Gawandi, V. B.; Mohan, H.; Mittal, J. P. Chem. Phys. Lett. 1999, 314, 451.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 451
-
-
Gawandi, V.B.1
Mohan, H.2
Mittal, J.P.3
-
16
-
-
0342855333
-
-
Pogocki, D.; Ghezzo-Schöneich, E.; Schöneich, C. J. Phys. Chem. B 2001, 105, 1250.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 1250
-
-
Pogocki, D.1
Ghezzo-Schöneich, E.2
Schöneich, C.3
-
17
-
-
0035052072
-
-
Schöneich, C.; Miller, B.; Hug, G. L.; Bobrowski, K.; Marciniak, B. Res. Chem. Intermed. 2001, 27, 165.
-
(2001)
Res. Chem. Intermed.
, vol.27
, pp. 165
-
-
Schöneich, C.1
Miller, B.2
Hug, G.L.3
Bobrowski, K.4
Marciniak, B.5
-
18
-
-
29244449032
-
-
Bonifačić, M.; Hug, G. L.; Schöneich, C. J. Phys. Chem. A 2000, 102, 1240.
-
(2000)
J. Phys. Chem. A
, vol.102
, pp. 1240
-
-
Bonifačić, M.1
Hug, G.L.2
Schöneich, C.3
-
19
-
-
0034684267
-
-
Schöneich, C.; Pogocki, D.; Wisniowski, P.; Hug, G. L.; Bobrowski, K. J. Am. Chem. Soc. 2000, 122, 10224.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 10224
-
-
Schöneich, C.1
Pogocki, D.2
Wisniowski, P.3
Hug, G.L.4
Bobrowski, K.5
-
20
-
-
0030817630
-
-
(a) Bobrowski, K.; Hug, G. L.; Marciniak, B.; Miller, B.; Schöneich, C. J. Am. Chem. Soc. 1997, 119, 8000.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 8000
-
-
Bobrowski, K.1
Hug, G.L.2
Marciniak, B.3
Miller, B.4
Schöneich, C.5
-
21
-
-
0000359642
-
-
(b) Bobrowski, K.; Pogocki, D.; Schoneich, C. J. Phys. Chem. A 1998, 102, 10512.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 10512
-
-
Bobrowski, K.1
Pogocki, D.2
Schoneich, C.3
-
22
-
-
0343901643
-
-
Steffen, L. K.; Glass, R. S.; Sabahi, M.; Wilson, G. S.; Schöneich, C.; Mahling, S.; Asmus, K. D. J. Am. Chem. Soc. 1991, 113, 2141.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2141
-
-
Steffen, L.K.1
Glass, R.S.2
Sabahi, M.3
Wilson, G.S.4
Schöneich, C.5
Mahling, S.6
Asmus, K.D.7
-
23
-
-
0030817630
-
-
Bobrowski, K.; Hug, G. L.; Marciniak, B.; Miller, B.; Schöneich, C. J. Am. Chem. Soc. 1997, 119, 8000.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 8000
-
-
Bobrowski, K.1
Hug, G.L.2
Marciniak, B.3
Miller, B.4
Schöneich, C.5
-
26
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, Jr., J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; and Pople, J. A. Gaussian 98 (revision A.6); Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98 (Revision A.6)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
28
-
-
0035950812
-
-
Byrd, B. F. C.; Sherrill, C. D.; Head-Gordon, M. J. Phys. Chem. A 2001, 105, 9736.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 9736
-
-
Byrd, B.F.C.1
Sherrill, C.D.2
Head-Gordon, M.3
-
29
-
-
0033963034
-
Molden: A pre- and post-processing program for molecular and electronic structures
-
Schaftenaar, G.; Noordik, J. H. Molden: A pre- and post-processing program for molecular and electronic structures. J. Comput.-Aided Mol. Design 2000, 14, 123.
-
(2000)
J. Comput.-Aided Mol. Design
, vol.14
, pp. 123
-
-
Schaftenaar, G.1
Noordik, J.H.2
-
31
-
-
0001029373
-
-
(b) Nobes, R. H.; Bouma, W. J.; Radom, L. Chem. Phys. Lett. 1982, 89, 497.
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 497
-
-
Nobes, R.H.1
Bouma, W.J.2
Radom, L.3
-
34
-
-
0009780705
-
-
(b) Curtiss, L. A.; Redfern, P. C.; Smith, B. J.; Radom, L. J. Chem. Phys. 1996, 104, 5148.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5148
-
-
Curtiss, L.A.1
Redfern, P.C.2
Smith, B.J.3
Radom, L.4
-
35
-
-
33748409455
-
-
(c) Nicolaides, A.; Rauk, A.; Glukhovtsev, M. N.; Radom, L. J. Phys. Chem. 1996, 100, 17460.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 17460
-
-
Nicolaides, A.1
Rauk, A.2
Glukhovtsev, M.N.3
Radom, L.4
-
36
-
-
0037070583
-
-
Braïda, B.; Hazebroucq, S.; Hiberty, P. C. J. Am. Chem. Soc. 2002, 124, 2371.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 2371
-
-
Braïda, B.1
Hazebroucq, S.2
Hiberty, P.C.3
-
37
-
-
0035936363
-
-
Chermette, H.; Ciofini, I.; Mariotti, F.; Daul, C. J. Chem. Phys. 2001, 115, 11068.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 11068
-
-
Chermette, H.1
Ciofini, I.2
Mariotti, F.3
Daul, C.4
-
38
-
-
0035396041
-
-
Braïda, B.; Lauvergnat, D.; Hiberty, P. C. J. Chem. Phys. 2001, 115, 90.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 90
-
-
Braïda, B.1
Lauvergnat, D.2
Hiberty, P.C.3
-
40
-
-
0037009965
-
-
Braïda, B.; Thogersen, L.; Wu, W.; Hiberty, P. C. J. Am. Chem. Soc. 2002, 124, 11781.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11781
-
-
Braïda, B.1
Thogersen, L.2
Wu, W.3
Hiberty, P.C.4
-
42
-
-
0000456616
-
-
Braïda, B.; Hiberty, P. C. Savin, A. J. Phys. Chem. A 1998, 102, 7872.
-
(1998)
J. Phys. Chem. A.
, vol.102
, pp. 7872
-
-
Braïda, B.1
Hiberty, P.C.2
Savin, A.3
-
43
-
-
0001518498
-
-
Sodupe, M.; Bertran, J.; Rodriguez-Santigao, L.; Baerends, E. J. J. Phys. Chem A 1999, 103, 166.
-
(1999)
J. Phys. Chem A
, pp. 166
-
-
Sodupe, M.1
Bertran, J.2
Rodriguez-Santigao, L.3
Baerends, E.J.4
-
44
-
-
84961986752
-
-
note
-
CPCM is a conductor-like screening solvation model (COSMO) with a continuum polarizable description of solvent that takes into account both electrostatic and van der Waals contributions. Solvation energies were estimated for water (ε = 78.39). (a) Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. J. Chem. Phys. 2002, 117, 43.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 43
-
-
Cossi, M.1
Scalmani, G.2
Rega, N.3
Barone, V.4
-
46
-
-
84962428785
-
-
(c) Barone, B.; Cossi, M.; Tomasi, J. J. Comput. Chem. 1998, 19, 404.
-
(1998)
J. Comput. Chem.
, vol.19
, pp. 404
-
-
Barone, B.1
Cossi, M.2
Tomasi, J.3
-
48
-
-
84962339917
-
-
Tomasi, J.; Cammi, R.; Mennucci, B. Int. J. Quan. Chem. 1999, 75, 783.
-
(1999)
Int. J. Quan. Chem.
, vol.75
, pp. 783
-
-
Tomasi, J.1
Cammi, R.2
Mennucci, B.3
-
49
-
-
84962476304
-
-
Amovilli, C.; Barone, V.; Cammi, R.; Cancès, E.; Cossi, M.; Mennucci, B.; Pomelli, C. S.; Tomasi, J. Adv. Quantum Chem. 1999, 32, 227.
-
(1999)
Adv. Quantum Chem.
, vol.32
, pp. 227
-
-
Amovilli, C.1
Barone, V.2
Cammi, R.3
Cancès, E.4
Cossi, M.5
Mennucci, B.6
Pomelli, C.S.7
Tomasi, J.8
-
53
-
-
84961973524
-
-
Li, H.; Hains, A. W.; Everts, J. E.; Robertson, A. D.; Jensen, J. H. J. Phys. Chem. B 2002, 106, 3486.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 3486
-
-
Li, H.1
Hains, A.W.2
Everts, J.E.3
Robertson, A.D.4
Jensen, J.H.5
-
58
-
-
0037191804
-
-
(a) Poskrebyshev, G. A.; Neta, P.; Huie, R. E. J. Phys. Chem. A 2002, 106, 11488.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11488
-
-
Poskrebyshev, G.A.1
Neta, P.2
Huie, R.E.3
-
60
-
-
33750980336
-
-
note
-
A similar value of ΔG(solv) = -2.4 kcal/mol for OH is reported. Schwarz, H. A.; Dodson, R. W. J. Phys. Chem. 1984, 88, 3643.
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 3643
-
-
Schwarz, H.A.1
Dodson, R.W.2
-
67
-
-
0001752408
-
-
Bickelhaupt, F. M.; Diefenbach, A.; De Visser, S. P.; De Koning, L. J.; Nibbbering, N. M. M. J. Phys. Chem. A 1998, 102, 9549.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 9549
-
-
Bickelhaupt, F.M.1
Diefenbach, A.2
De Visser, S.P.3
De Koning, L.J.4
Nibbbering, N.M.M.5
-
68
-
-
0002747068
-
-
De Visser, S. P.; Bickelhaupt, F. M.; De Koning, L. J.; Nibbering, N. M. M. Int. J. Mass Spectrom. Ion Processes 1998, 179/180, 43.
-
(1998)
Int. J. Mass Spectrom. Ion Processes
, vol.179-180
, pp. 43
-
-
De Visser, S.P.1
Bickelhaupt, F.M.2
De Koning, L.J.3
Nibbering, N.M.M.4
-
69
-
-
0141553995
-
-
note
-
The MP2 method systematically underestimates the 2c-3e bond distance (see ref 33).
-
-
-
-
71
-
-
0141553992
-
-
Marstokk, K.-M.; Møllendal, H.; Uggerud, E. Acta Chem. Scand. 1989, 43, 26.
-
(1989)
Acta Chem. Scand.
, vol.43
, pp. 26
-
-
Marstokk, K.-M.1
Møllendal, H.2
Uggerud, E.3
-
72
-
-
0041102734
-
-
note
-
The average S-H hydrogen bond distance is 1.9-2.0 Å; See: Steiner, T. Chem. Commun. 1998, 411.
-
(1998)
Chem. Commun.
, pp. 411
-
-
Steiner, T.1
-
73
-
-
0037058671
-
-
Limão-Vieira, P.; Eden, S.; Kendall, P. A.; Mason, N. J. Hoffmann, S. V. Chem. Phys. Lett. 2002, 366, 343.
-
(2002)
Chem. Phys. Lett.
, vol.366
, pp. 343
-
-
Limão-Vieira, P.1
Eden, S.2
Kendall, P.A.3
Mason, N.J.4
Hoffmann, S.V.5
-
74
-
-
0035966213
-
-
Cubbage, J. W.; Guo, Y.; McCulla, R. D.; Jenks, W. S. J. Org. Chem. 2001, 66, 8722.
-
(2001)
J. Org. Chem.
, vol.66
, pp. 8722
-
-
Cubbage, J.W.1
Guo, Y.2
McCulla, R.D.3
Jenks, W.S.4
-
76
-
-
0141442397
-
-
(a) Gilbert, B. C.; Larkin, J. P.; Norman, R. O. C. J. Chem. Soc., Perkin 2 1973, 273.
-
(1973)
J. Chem. Soc., Perkin 2
, pp. 273
-
-
Gilbert, B.C.1
Larkin, J.P.2
Norman, R.O.C.3
-
77
-
-
30744453171
-
-
(b) Gilbert, B. C.; Hodgeman, D. K. C.; Norman, R. O. C. J. Chem. Soc., Perkin 2 1973, 1748.
-
(1973)
J. Chem. Soc., Perkin 2
, pp. 1748
-
-
Gilbert, B.C.1
Hodgeman, D.K.C.2
Norman, R.O.C.3
|