-
2
-
-
0022569954
-
-
Thoma, H.; Rist, S.; Hauschulz, G.; Hutzinger, O. Chemosphere 1986, 15, 649.
-
(1986)
Chemosphere
, vol.15
, pp. 649
-
-
Thoma, H.1
Rist, S.2
Hauschulz, G.3
Hutzinger, O.4
-
3
-
-
0023199801
-
-
Thoma, H.; Hauschulz, G.; Knorr, E.; Hutzinger, O. Chemosphere 1987, 16, 277.
-
(1987)
Chemosphere
, vol.16
, pp. 277
-
-
Thoma, H.1
Hauschulz, G.2
Knorr, E.3
Hutzinger, O.4
-
4
-
-
0026329383
-
-
Streibich, R. C.; Rubey, W. A.; Tirey, D. A.; Dellinger, B. Chemosphere 1991, 23, 1197.
-
(1991)
Chemosphere
, vol.23
, pp. 1197
-
-
Streibich, R.C.1
Rubey, W.A.2
Tirey, D.A.3
Dellinger, B.4
-
5
-
-
0141561784
-
-
Lee, E. P. F.; Dyke, J. M.; Chau, F.-T.; Chow, W.-K.; Mok, D. K. W. Chem. Phys. Lett. 2003, 376, 465.
-
(2003)
Chem. Phys. Lett.
, vol.376
, pp. 465
-
-
Lee, E.P.F.1
Dyke, J.M.2
Chau, F.-T.3
Chow, W.-K.4
Mok, D.K.W.5
-
6
-
-
4944226672
-
-
Remmers, J.; Breen, J. J.; Glatz, J. A.; Canterbury, J.; Steele, D. H.; Stanley, J. S. Organohalogen Compd. 1990, 2, 297.
-
(1990)
Organohalogen Compd.
, vol.2
, pp. 297
-
-
Remmers, J.1
Breen, J.J.2
Glatz, J.A.3
Canterbury, J.4
Steele, D.H.5
Stanley, J.S.6
-
7
-
-
35848953179
-
-
American Chemical Society: Washington, DC
-
Chase, M. W., Jr., Davies, C. A., Downey, J. R., Jr., Frurip, D. J., McDonald, R. A., Syverud, A. N., Eds. JANAF Thermochemical Tables, 3rd ed.; American Chemical Society: Washington, DC, 1985; J. Phys. Chem. Ref. Data 1985, 14, supplement No. 1.
-
(1985)
JANAF Thermochemical Tables, 3rd Ed.
-
-
Chase Jr., M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
8
-
-
4944240445
-
-
Chase, M. W., Jr., Davies, C. A., Downey, J. R., Jr., Frurip, D. J., McDonald, R. A., Syverud, A. N., Eds. JANAF Thermochemical Tables, 3rd ed.; American Chemical Society: Washington, DC, 1985; J. Phys. Chem. Ref. Data 1985, 14, supplement No. 1.
-
(1985)
J. Phys. Chem. Ref. Data
, vol.14
, Issue.SUPPL. NO. 1
-
-
-
9
-
-
0003534775
-
-
American Chemical Society: Washington, DC
-
Wagman, D. D., Evans, W. H., Parker, V. B., Schumm, R. H., Halow, I., Bailey, S. M., Churney, K. L., Nuttall, R. L., Eds.; NBS Tables of Chemical Thermodynamic Properties; American Chemical Society: Washington, DC, 1982; J. Phys. Chem. Ref. Data 1982, 11, supplement No. 2.
-
(1982)
NBS Tables of Chemical Thermodynamic Properties
-
-
Wagman, D.D.1
Evans, W.H.2
Parker, V.B.3
Schumm, R.H.4
Halow, I.5
Bailey, S.M.6
Churney, K.L.7
Nuttall, R.L.8
-
10
-
-
4944245611
-
-
Wagman, D. D., Evans, W. H., Parker, V. B., Schumm, R. H., Halow, I., Bailey, S. M., Churney, K. L., Nuttall, R. L., Eds.; NBS Tables of Chemical Thermodynamic Properties; American Chemical Society: Washington, DC, 1982; J. Phys. Chem. Ref. Data 1982, 11, supplement No. 2.
-
(1982)
J. Phys. Chem. Ref. Data
, vol.11
, Issue.SUPPL. NO. 2
-
-
-
11
-
-
0346047571
-
Neutral thermochemical data
-
NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., ; National Institute of Standards and Technology, Gaithersburg MD, March
-
Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook; NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology, Gaithersburg MD, March 2003. http://webbook.nist.gov.
-
(2003)
NIST Chemistry WebBook
-
-
Afeefy, H.Y.1
Liebman, J.F.2
Stein, S.E.3
-
16
-
-
0041401966
-
-
Curtiss, L. A.; Raghavachari, K.; Trucks, G. W.; Pople, J. A. J. Chem. Phys. 1991, 94, 7221.
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
17
-
-
36448999570
-
-
Curtiss, L. A.; McGrath, M. P.; Blaudeau, J.-P.; Davies, N. E.; Binning, R. C., Jr.; Radom, L. J. Chem. Phys. 1995, 103, 6104.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 6104
-
-
Curtiss, L.A.1
McGrath, M.P.2
Blaudeau, J.-P.3
Davies, N.E.4
Binning Jr., R.C.5
Radom, L.6
-
18
-
-
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. Gaussian 03, revision B.02; Gaussian, Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03, Revision B.02
-
-
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..
-
19
-
-
77954219446
-
-
designed by H.-J. Werner and, P. J. Knowles
-
MOLPRO is a package of ab initio programs designed by H.-J. Werner and, P. J. Knowles. The authors are H.-J. Werner, P. J. Knowles, M. Schütz, R. Lindh, P. Celani, T. Korona, G. Rauhut, R. D. Amos, A. Bernhardsson, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson.
-
MOLPRO Is A Package of Ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Schütz, M.3
Lindh, R.4
Celani, P.5
Korona, T.6
Rauhut, G.7
Amos, R.D.8
Bernhardsson, A.9
Berning, A.10
Cooper, D.L.11
Deegan, M.J.O.12
Dobbyn, A.J.13
Eckert, F.14
Hampel, C.15
Hetzer, G.16
Lloyd, A.W.17
McNicholas, S.J.18
Manby, F.R.19
Meyer, W.20
Mura, M.E.21
Nicklass, A.22
Palmieri, P.23
Pitzer, R.24
Schumann, U.25
Stoll, H.26
Stone, A.J.27
Tarroni, R.28
Thorsteinsson, T.29
more..
-
20
-
-
4944266371
-
-
M.Sc. Thesis. Weizmann Institute of Science, Oren, M.; Martin, J. M. L. To be published
-
Oren, M. M.Sc. Thesis. Weizmann Institute of Science, 2003. Oren, M.; Martin, J. M. L. To be published.
-
(2003)
Oren, M.
-
-
-
21
-
-
36148931496
-
-
Douglas, M.; Kroll, N. M. Am. Phys. (N.Y.) 1974, 82, 89. Hess, B. A. Ber. Bunsen-Ges. Phys. Chem. 1997, 101, 1.
-
(1974)
Am. Phys. (N.Y.)
, vol.82
, pp. 89
-
-
Douglas, M.1
Kroll, N.M.2
-
22
-
-
0002360329
-
-
Douglas, M.; Kroll, N. M. Am. Phys. (N.Y.) 1974, 82, 89. Hess, B. A. Ber. Bunsen-Ges. Phys. Chem. 1997, 101, 1.
-
(1997)
Ber. Bunsen-Ges. Phys. Chem.
, vol.101
, pp. 1
-
-
Hess, B.A.1
-
23
-
-
0344718335
-
-
For the original B97 functional see: Becke, A. D. J. Chem. Phys. 1997, 107, 8554. The reparametrization conventionally denoted B97-1 is proposed in: Hamprecht, F. A.; Cohen, A. J.; Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1998, 109, 6264.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 8554
-
-
Becke, A.D.1
-
24
-
-
0001652762
-
-
For the original B97 functional see: Becke, A. D. J. Chem. Phys. 1997, 107, 8554. The reparametrization conventionally denoted B97-1 is proposed in: Hamprecht, F. A.; Cohen, A. J.; Tozer, D. J.; Handy, N. C. J. Chem. Phys. 1998, 109, 6264.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
25
-
-
0042380153
-
-
Boese, A. D.; Martin, J. M. L.; Handy, N. C. J. Chem. Phys. 2003, 119, 3005.
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 3005
-
-
Boese, A.D.1
Martin, J.M.L.2
Handy, N.C.3
-
27
-
-
0032502389
-
-
Halkier, A.; Helgaker, T.; Jørgensen, P.; Klopper, W.; Koch, H.; Olsen, J.; Wilson, A. K. Chem. Phys. Lett. 1998, 286, 243.
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
28
-
-
0041893687
-
W1 W2 theories and their variants: Thermochemistry in the kJ/mol accuracy range
-
Cioslowski, J., Szarecka, A., Eds.; Understanding Chemical Reactivity Series; Kluwer Academic Publishers: Dordrecht, The Netherlands, Chapter 2, 31-65
-
Martin, J. M. L.; Parthiban, S. W1 and W2 Theories and their Variants: Thermochemistry in the kJ/mol Accuracy Range. In Quantum Mechanical Prediction of Thermochemical Data; Cioslowski, J., Szarecka, A., Eds.; Understanding Chemical Reactivity Series; Kluwer Academic Publishers: Dordrecht, The Netherlands, 2001; Vol. 22, Chapter 2, pp 31-65.
-
(2001)
Quantum Mechanical Prediction of Thermochemical Data
, vol.22
-
-
Martin, J.M.L.1
Parthiban, S.2
-
29
-
-
0000570439
-
-
Kutzelnigg, W.; Morgan, J. L., III. J. Chem. Phys. 1992, 96, 4484 and references therein; Erratum: J. Chem. Phys. 1992, 97, 8821.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4484
-
-
Kutzelnigg, W.1
Morgan III, J.L.2
-
30
-
-
0000570439
-
-
Kutzelnigg, W.; Morgan, J. L., III. J. Chem. Phys. 1992, 96, 4484 and references therein; Erratum: J. Chem. Phys. 1992, 97, 8821.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 8821
-
-
-
31
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479. Watts, J. D.; Gauss, J.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 8718.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
32
-
-
36449006622
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479. Watts, J. D.; Gauss, J.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 8718.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 8718
-
-
Watts, J.D.1
Gauss, J.2
Bartlett, R.J.3
-
35
-
-
0003878179
-
-
Hemisphere Publishing Co.: Bristol, PA
-
Gurvich, L. V.; Veyts, I. V.; Alcock, C. B. Thermodynamic Properties of Individual Substances, 4th ed.; Hemisphere Publishing Co.: Bristol, PA, 1989-1991.
-
(1989)
Thermodynamic Properties of Individual Substances, 4th Ed.
-
-
Gurvich, L.V.1
Veyts, I.V.2
Alcock, C.B.3
-
37
-
-
0003456091
-
-
Thermodynamics Research Center, College Station, TX: Thermodynamics Research Center, The TRC is presently under the auspices of NIST, see
-
Frenkel, M.; Marsh, K. N.; Wilhoit, R. C.; Kabo, G. J.; Roganov, G. N. Thermodynamics of Organic Compounds in the Gas State; Thermodynamics Research Center, College Station, TX: Thermodynamics Research Center, 1994). The TRC is presently under the auspices of NIST, see: http://trc.nist.gov.
-
(1994)
Thermodynamics of Organic Compounds in the Gas State
-
-
Frenkel, M.1
Marsh, K.N.2
Wilhoit, R.C.3
Kabo, G.J.4
Roganov, G.N.5
-
39
-
-
0034614301
-
-
Born, M.; Ingermann, S.; Nibbering, N. M. M. Int. J. Mass Spectrom. 2000, 194, 103.
-
(2000)
Int. J. Mass Spectrom.
, vol.194
, pp. 103
-
-
Born, M.1
Ingermann, S.2
Nibbering, N.M.M.3
-
40
-
-
0345628931
-
Strengths of chemical bonds
-
Lide., D. R., Ed.-in-chief; Chemical Rubber Publishing Company: Boca Raton, FL
-
Kerr, J. A.; Stocker, D. W. Strengths of Chemical Bonds. In CRC Handbook of Chemistry and Physics, 81st ed.; Lide., D. R., Ed.-in-chief; Chemical Rubber Publishing Company: Boca Raton, FL,2000.
-
(2000)
CRC Handbook of Chemistry and Physics, 81st Ed.
-
-
Kerr, J.A.1
Stocker, D.W.2
-
41
-
-
4944249708
-
-
http://kinetics.nist.gov/protected/1/thermo/trichloromethyl.html.
-
-
-
-
42
-
-
48549111233
-
-
Sickerten, J.; Minas Da Piedade, M. E.; Pilcher, G. J. Chem. Thermodyn. 1984, 16, 661.
-
(1984)
J. Chem. Thermodyn.
, vol.16
, pp. 661
-
-
Sickerten, J.1
Minas Da Piedade, M.E.2
Pilcher, G.3
-
43
-
-
0034385232
-
-
Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., Jr.; Kerr, J. A.; Rossi, M. J.; Troe, J. J. Phys. Chem. Ref. Data 2000, 29, 167.
-
(2000)
J. Phys. Chem. Ref. Data
, vol.29
, pp. 167
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Hampson Jr., R.F.4
Kerr, J.A.5
Rossi, M.J.6
Troe, J.7
-
44
-
-
0001537646
-
-
Yokoyama, K.; Fujisawa, G.; Yokoyama, A. J. Chem. Phys. 1995, 102, 7902.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 7902
-
-
Yokoyama, K.1
Fujisawa, G.2
Yokoyama, A.3
-
45
-
-
4944238581
-
-
March
-
Thergas. A program by Muller, C.; Warth, V.; Jacquemard, E.; Scacchi, G.; Côme, G. M. March 1996. See: Muller, C.; Michel, V.; Scacchi, G.; Côme, G. M. J. Chim. Phys. 1995, 92, 1154.
-
(1996)
Thergas.
-
-
Muller, C.1
Warth, V.2
Jacquemard, E.3
Scacchi, G.4
Côme, G.M.5
-
46
-
-
0001430305
-
-
Thergas. A program by Muller, C.; Warth, V.; Jacquemard, E.; Scacchi, G.; Côme, G. M. March 1996. See: Muller, C.; Michel, V.; Scacchi, G.; Côme, G. M. J. Chim. Phys. 1995, 92, 1154.
-
(1995)
J. Chim. Phys.
, vol.92
, pp. 1154
-
-
Muller, C.1
Michel, V.2
Scacchi, G.3
Côme, G.M.4
-
49
-
-
0037191880
-
-
Lazarou, Y. G.; Papadimitriou, V. C.; Prosmitis, A. V.; Papagian-nakopoulos, P. J. Phys. Chem. A 2002, 106, 11502.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 11502
-
-
Lazarou, Y.G.1
Papadimitriou, V.C.2
Prosmitis, A.V.3
Papagian-Nakopoulos, P.4
-
52
-
-
0003596638
-
-
JPL: Pasadena, CA
-
DeMore, W. B.; Sander, S. P.; Golden, D. M.; Hampson, R. F.; Kurylo, M. J.; Howard, C. J.; Ravishankara, A. R.; Kolb, C. E.; Molina, M. J. Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, JPL Publication 97-4; JPL: Pasadena, CA, 1997.
-
(1997)
Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, JPL Publication 97-4
-
-
Demore, W.B.1
Sander, S.P.2
Golden, D.M.3
Hampson, R.F.4
Kurylo, M.J.5
Howard, C.J.6
Ravishankara, A.R.7
Kolb, C.E.8
Molina, M.J.9
-
53
-
-
4944246899
-
CODATA key values for thermodynamics
-
Lide, D. R., Ed-in-chief; Chemical Rubber Publishing Company: Boca Raton, FL
-
CODATA Key Values for Thermodynamics. In CRC Handbook of Chemistry and Physics, 81st ed.; Lide, D. R., Ed-in-chief; Chemical Rubber Publishing Company: Boca Raton, FL, 2000. http://www.codata.org.
-
(2000)
CRC Handbook of Chemistry and Physics, 81st Ed.
-
-
-
54
-
-
0037046746
-
-
Dixon, D. A.; de Jong, W. A.; Peterson, K. A.; Francisco, J. S. J. Phys. Chem. A 2002, 106, 4725.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 4725
-
-
Dixon, D.A.1
De Jong, W.A.2
Peterson, K.A.3
Francisco, J.S.4
-
56
-
-
37049130752
-
-
Ferguson, K. C.; Okato, E. N.; Whittle, E. J. Chem. Soc., Faraday Trans. 1 1973, 69, 295.
-
(1973)
J. Chem. Soc., Faraday Trans. 1
, vol.69
, pp. 295
-
-
Ferguson, K.C.1
Okato, E.N.2
Whittle, E.3
-
57
-
-
0001685251
-
-
(a) Fowell, P.; Lacher, J. R.; Park, J. D. Trans Faraday Soc. 1965, 61, 1324.
-
(1965)
Trans Faraday Soc.
, vol.61
, pp. 1324
-
-
Fowell, P.1
Lacher, J.R.2
Park, J.D.3
-
58
-
-
0001352915
-
-
(b) Adams, G. P.; Carson, A. S.; Laye, P. G. Trans. Faraday Soc. 1966, 62, 1447.
-
(1966)
Trans. Faraday Soc.
, vol.62
, pp. 1447
-
-
Adams, G.P.1
Carson, A.S.2
Laye, P.G.3
-
59
-
-
0035250161
-
-
Parthiban, S.; de Oliveira, G.; Martin, J. M. L. J. Phys. Chem. A 2001, 105, 895.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 895
-
-
Parthiban, S.1
De Oliveira, G.2
Martin, J.M.L.3
-
60
-
-
0037460552
-
-
Feller, D.; Peterson, K. A.; de Jong, W. A.; Dixon, D. A. J. Chem. Phys. 2003, 118, 3510.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3510
-
-
Feller, D.1
Peterson, K.A.2
De Jong, W.A.3
Dixon, D.A.4
-
64
-
-
0034224392
-
-
Martin, J. M. L.; Sundermann, A.; Fast, P. L.; Truhlar, D. G. J. Chem. Phys. 2000, 113, 1348.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 1348
-
-
Martin, J.M.L.1
Sundermann, A.2
Fast, P.L.3
Truhlar, D.G.4
-
65
-
-
0000626261
-
-
Wilmouth, D. M.; Hanisco, T. F.; Donahue, N. M.; Anderson, J. G. J. Phys. Chem. A 1999, 103, 8935.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 8935
-
-
Wilmouth, D.M.1
Hanisco, T.F.2
Donahue, N.M.3
Anderson, J.G.4
-
67
-
-
0011635668
-
-
Papina, T. S.; Kolesov, V. P.; Golovanova, Yu. G. Russ. J. Phys. Chem. (Engl. Transl.) 1982, 56, 1666.
-
(1982)
Russ. J. Phys. Chem. (Engl. Transl.)
, vol.56
, pp. 1666
-
-
Papina, T.S.1
Kolesov, V.P.2
Yu Golovanova, G.3
-
68
-
-
24344487787
-
-
Gilles, M. K.; Ervin, K. M.; Ho, J.; Lineberger, W. C. J. Phys. Chem. 1992, 95, 1130.
-
(1992)
J. Phys. Chem.
, vol.95
, pp. 1130
-
-
Gilles, M.K.1
Ervin, K.M.2
Ho, J.3
Lineberger, W.C.4
-
69
-
-
0008308968
-
-
King, K. D.; Golden, D. M.; Benson, S. W. J. Phys. Chem. 1971, 75, 987.
-
(1971)
J. Phys. Chem.
, vol.75
, pp. 987
-
-
King, K.D.1
Golden, D.M.2
Benson, S.W.3
-
71
-
-
0028499531
-
-
Vaittinen, O.; Halonen, L.; Burger, H.; Polanz, O. J. Mol. Spectrosc. 1994, 167, 55.
-
(1994)
J. Mol. Spectrosc.
, vol.167
, pp. 55
-
-
Vaittinen, O.1
Halonen, L.2
Burger, H.3
Polanz, O.4
-
74
-
-
0037061983
-
-
and Supporting Information cited therein
-
Yoshida, H.; Takeda, K.; Okamura, J.; Ehara, A.; Matsuura, H. J. Phys. Chem. A 2002, 106, 3580 and Supporting Information cited therein.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 3580
-
-
Yoshida, H.1
Takeda, K.2
Okamura, J.3
Ehara, A.4
Matsuura, H.5
-
76
-
-
4944244000
-
-
Ruscic, B.; Burcat, A. To be published
-
Ruscic, B.; Burcat, A. To be published.
-
-
-
-
78
-
-
4944259375
-
-
Wang, H. Private communication
-
Wang, H. Private communication.
-
-
-
-
79
-
-
1842424174
-
-
Boese, A. D.; Oren, M.; Atasoylu, O.; Martin, J. M. L.; Kállay, M.; Gauss, J. J. Chem. Phys. 2004, 120, 4129.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 4129
-
-
Boese, A.D.1
Oren, M.2
Atasoylu, O.3
Martin, J.M.L.4
Kállay, M.5
Gauss, J.6
-
80
-
-
0001950458
-
NIST structures and properties and estimation program
-
Stein, S. E. NIST Structures and Properties and Estimation Program. Computerized Database #25, 1994.
-
Computerized Database
, vol.25
, pp. 1994
-
-
Stein, S.E.1
|