-
2
-
-
0022200761
-
-
Farman, J. C.; Gardiner, B. G.; Shanklin, J. D. Nature 1985, 315, 207.
-
(1985)
Nature
, vol.315
, pp. 207
-
-
Farman, J.C.1
Gardiner, B.G.2
Shanklin, J.D.3
-
4
-
-
0025587525
-
-
Brune, W. H.; Toohey, D. W.; Anderson, J. G.; Chan, K. R. Geophys. Res. Lett. 1990, 17, 505.
-
(1990)
Geophys. Res. Lett.
, vol.17
, pp. 505
-
-
Brune, W.H.1
Toohey, D.W.2
Anderson, J.G.3
Chan, K.R.4
-
5
-
-
0027532634
-
-
Waters, J. W.; Froidevaux, L.; Read, W. G.; Manney, G. L.; Elson, L. S.; Flower, D. A.; Jarnot, R. F.; Harwood, R. S. Nature 1993, 362, 597.
-
(1993)
Nature
, vol.362
, pp. 597
-
-
Waters, J.W.1
Froidevaux, L.2
Read, W.G.3
Manney, G.L.4
Elson, L.S.5
Flower, D.A.6
Jarnot, R.F.7
Harwood, R.S.8
-
6
-
-
0001031350
-
-
Fickert, S.; Helleis, F.; Adams, J. W.; Moortgat, G. K.; Crowley, J. N. J. Phys. Chem. A 1998, 102, 10689.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 10689
-
-
Fickert, S.1
Helleis, F.2
Adams, J.W.3
Moortgat, G.K.4
Crowley, J.N.5
-
7
-
-
0001045915
-
-
Carter, R. T.; Hallou, A.; Huber, J. R. Chem. Phys. Lett. 1999, 310, 166.
-
(1999)
Chem. Phys. Lett.
, vol.310
, pp. 166
-
-
Carter, R.T.1
Hallou, A.2
Huber, J.R.3
-
8
-
-
0000215307
-
-
Clyne, M. A. A.; Watson, R. T. J. Chem. Soc., Faraday Trans. 1974, 70, 2250.
-
(1974)
J. Chem. Soc., Faraday Trans.
, vol.70
, pp. 2250
-
-
Clyne, M.A.A.1
Watson, R.T.2
-
13
-
-
84985315703
-
-
Lee, Y.-P.; Stimpfle, R. M.; Perry, R. A.; Mucha, J. A.; Evenson, K. M.; Jennings, D. A.; Howard, C. J. Int. J. Chem. Kinet. 1982, 14, 711.
-
(1982)
Int. J. Chem. Kinet.
, vol.14
, pp. 711
-
-
Lee, Y.-P.1
Stimpfle, R.M.2
Perry, R.A.3
Mucha, J.A.4
Evenson, K.M.5
Jennings, D.A.6
Howard, C.J.7
-
14
-
-
3142687517
-
-
Zhao, Y.; Houk, K. N.; Olson, L. P. J. Phys. Chem. A 2004, 108, 5864.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 5864
-
-
Zhao, Y.1
Houk, K.N.2
Olson, L.P.3
-
15
-
-
4944253586
-
-
Ellison, G. B.; Herbert, J. M.; McCoy, A. B.; Stanton, J. F.; Szalay, P. G. J. Phys. Chem. A 2004, 108, 7639.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 7639
-
-
Ellison, G.B.1
Herbert, J.M.2
McCoy, A.B.3
Stanton, J.F.4
Szalay, P.G.5
-
17
-
-
0345802983
-
-
Bach, R. D.; Dmitrenko, O.; Estévez, C. M. J. Am. Chem. Soc. 2003, 125, 16204.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 16204
-
-
Bach, R.D.1
Dmitrenko, O.2
Estévez, C.M.3
-
18
-
-
0037018528
-
-
Dixon, D. A.; Feller, D.; Zhan, C.-G.; Francisco, J. S. J. Phys. Chem. A 2002, 106, 3191.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 3191
-
-
Dixon, D.A.1
Feller, D.2
Zhan, C.-G.3
Francisco, J.S.4
-
19
-
-
0031285837
-
-
Lee, T. J.; Bauschlicher, C. W.; Jayatilaka, D. Theor. Chem. Acc. 1997, 97, 185.
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 185
-
-
Lee, T.J.1
Bauschlicher, C.W.2
Jayatilaka, D.3
-
25
-
-
0141704726
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian03, Revision B.4; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian03, Revision B.4
-
-
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
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
26
-
-
0141991885
-
-
Karlström, G.; Lindh, R.; Malmqvist, P.-Å.; Roos, B. O.; Ryde, U.; Veryazov, V.; Widmark, P.-O.; Cossi, M.; Schimmelpfennig, B.; Neogrady, P.; Seijo, L. Comput. Mater. Sci. 2003, 28, 222.
-
(2003)
Comput. Mater. Sci.
, vol.28
, pp. 222
-
-
Karlström, G.1
Lindh, R.2
Malmqvist, P.-Å.3
Roos, B.O.4
Ryde, U.5
Veryazov, V.6
Widmark, P.-O.7
Cossi, M.8
Schimmelpfennig, B.9
Neogrady, P.10
Seijo, L.11
-
29
-
-
1642380480
-
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1994, 100, 7410.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
-
30
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
31
-
-
0003392735
-
-
NSRDS-NBS 35; National Bureau of Standards: Washington, DC, 2
-
Moore, C. E. Atomic Energy Levels; NSRDS-NBS 35; National Bureau of Standards: Washington, DC, 1971; Vols. II and II.
-
(1971)
Atomic Energy Levels
, vol.2
-
-
Moore, C.E.1
-
34
-
-
20744436508
-
-
note
-
The standard G3B3 method includes spin-orbit corrections for atoms but not for diatomic molecules. We have included spin-orbit effects for NO and CIO in the G3B3 energies.
-
-
-
-
35
-
-
0000196761
-
The complete active space self-consistent field method and its applications in electronic structure calculations
-
Lawley, K. P., Ed.; John Wiley & Sons: Chichester, U.K.
-
Roos, B. O. The complete active space self-consistent field method and its applications in electronic structure calculations. In Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; John Wiley & Sons: Chichester, U.K., 1987.
-
(1987)
Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry-II
-
-
Roos, B.O.1
-
36
-
-
0011565598
-
Multiconfigurational perturbation theory: Applications in electronic spectroscopy
-
Prigogine, I., Rice, S. A., Eds.; John Wiley & Sons: New York
-
(a) Roos, B. O.; Andersson, K.; Fülscher, M. P.; Malmqvist, P.-Å.; Serrano-Andrés, L.; Pierloot, K.; Merchán, M. Multiconfigurational perturbation theory: Applications in electronic spectroscopy. In Advances in Chemical Physics: New Methods in Computational Quantum Mechanics; Prigogine, I., Rice, S. A., Eds.; John Wiley & Sons: New York, 1995.
-
(1995)
Advances in Chemical Physics: New Methods in Computational Quantum Mechanics
-
-
Roos, B.O.1
Andersson, K.2
Fülscher, M.P.3
Malmqvist, P.-Å.4
Serrano-Andrés, L.5
Pierloot, K.6
Merchán, M.7
-
37
-
-
0013004607
-
-
(b) Andersson, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadlej, A. J.; Wolinski, K. J. Phys. Chem. 1990, 94, 5483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
38
-
-
36448998619
-
-
(c) Andersson, K.; Malmqvist, P.-Å.; Roos, B. O. J. Phys. Chem. 1992, 96, 1218.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1218
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
39
-
-
0042106817
-
-
(a) Widmark, P. O.; Malmqvist, P.-Å.; Roos, B. Q. Theor. Chim. Acta 1990, 77, 291.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 291
-
-
Widmark, P.O.1
Malmqvist, P.-Å.2
Roos, B.Q.3
-
40
-
-
0009718858
-
-
(b) Widmark, P. O.; Malmqvist, P.-A.; Roos, B. O. Theor. Chim. Acta 1991, 79, 419.
-
(1991)
Theor. Chim. Acta
, vol.79
, pp. 419
-
-
Widmark, P.O.1
Malmqvist, P.-A.2
Roos, B.O.3
-
41
-
-
0038602130
-
-
University of Minnesota
-
Corchado, J. C.; Chuang, Y.-Y.; Fast, P. L.; Villa, J.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Melissas, V. S.; Lynch, I. R.; Coitino, E. L.; Fernandez-Ramos, A.; Pu, J.; Albu, T. V.; Steckler, R.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. Polyrate, Version 9.3, University of Minnesota, 2004.
-
(2004)
Polyrate, Version 9.3
-
-
Corchado, J.C.1
Chuang, Y.-Y.2
Fast, P.L.3
Villa, J.4
Hu, W.-P.5
Liu, Y.-P.6
Lynch, G.C.7
Nguyen, K.A.8
Jackels, C.F.9
Melissas, V.S.10
Lynch, I.R.11
Coitino, E.L.12
Fernandez-Ramos, A.13
Pu, J.14
Albu, T.V.15
Steckler, R.16
Garrett, B.C.17
Isaacson, A.D.18
Truhlar, D.G.19
-
42
-
-
0003596337
-
-
Argonne National Laboratory: Argonne, IL
-
Klippenstein, S. J.; Wagner A. F.; Dunbar, R. C.; Wardlaw, D. M.; Robertson, S. H. VariFlex, Version 1.00; Argonne National Laboratory: Argonne, IL, 1999.
-
(1999)
VariFlex, Version 1.00
-
-
Klippenstein, S.J.1
Wagner, A.F.2
Dunbar, R.C.3
Wardlaw, D.M.4
Robertson, S.H.5
-
43
-
-
0003837395
-
-
National Institute of Standards and Technology: Gaithersburg, MD
-
Mokrushin, V.; Bedanov, V.; Tsang, W.; Zachariah, M. R.; Knyazev, V. D. ChemRate, Version 1.19; National Institute of Standards and Technology: Gaithersburg, MD, 2002.
-
(2002)
ChemRate, Version 1.19
-
-
Mokrushin, V.1
Bedanov, V.2
Tsang, W.3
Zachariah, M.R.4
Knyazev, V.D.5
-
45
-
-
0000272085
-
-
Kawashima, Y.; Takeo, H.; Matsumura, C. Chem. Phys. Lett. 1979, 63, 119.
-
(1979)
Chem. Phys. Lett.
, vol.63
, pp. 119
-
-
Kawashima, Y.1
Takeo, H.2
Matsumura, C.3
-
47
-
-
0037077667
-
-
Zhang, D.; Zhang, R.; Park, J.; North, S. W. J. Am. Chem. Soc. 2002, 124, 9600.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9600
-
-
Zhang, D.1
Zhang, R.2
Park, J.3
North, S.W.4
-
48
-
-
0037077680
-
-
Olson, L. P.; Kuwata, K. T.; Bartberger, M. D.; Houk, K. N. J. Am. Chem. Soc. 2002, 124, 9469.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 9469
-
-
Olson, L.P.1
Kuwata, K.T.2
Bartberger, M.D.3
Houk, K.N.4
-
49
-
-
0000857120
-
-
Slagle, I. R.; Gutman D.; Davies, J. W.; Pilling, M. J. J. Phys. Chem. 1988, 92, 2455.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 2455
-
-
Slagle, I.R.1
Gutman, D.2
Davies, J.W.3
Pilling, M.J.4
-
50
-
-
0037057239
-
-
Song, S.; Hanson, R. K.; Bowman, C. T.; Golden, D. M. J. Phys. Chem. A 2002, 106, 9233.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 9233
-
-
Song, S.1
Hanson, R.K.2
Bowman, C.T.3
Golden, D.M.4
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