SCOPUS 정보 검색 플랫폼

Proceedings of the Combustion Institute

Volumn 32 I, Issue 1, 2009, Pages 149-155

Kinetics of the H + NCO reaction

(2) Klippenstein, Stephen J a Harding, Lawrence B a

a ARGONNE NATIONAL LABORATORY (United States)

Author keywords

Ab initio; NCO; Transition state theory

Indexed keywords

CALCULATIONS; COMBUSTION; DISSOCIATION; ELECTRONIC STRUCTURE; ENERGY TRANSFER; FORECASTING; PHOTOLYSIS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SURFACE REACTIONS;

AB INITIO; AB INITIO CALCULATIONS; ENERGY TRANSFER PARAMETERS; INTER-SYSTEM CROSSINGS; MULTI REFERENCE CONFIGURATION INTERACTIONS; PHOTOLYSIS BRANCHING RATIOS; TEMPERATURE AND PRESSURES; TRANSITION STATE THEORIES;

REACTION KINETICS;

EID: 61849126271 PISSN: 15407489 EISSN: None Source Type: Journal
DOI: 10.1016/j.proci.2008.06.135 Document Type: Article

Times cited : (18)

References (49)

1
- 0024932917
- J.A. Miller, C.T. Bowman, Prog. Energ. Combust. Sci. 15 (1989) 287-338.
- (1989) Prog. Energ. Combust. Sci , vol.15 , pp. 287-338
- Miller, J.A.¹ Bowman, C.T.²

2
- 0000215460
- L. Prada, J.A. Miller, Combust. Sci. Tech. 132 (1998) 225-250.
- (1998) Combust. Sci. Tech , vol.132 , pp. 225-250
- Prada, L.¹ Miller, J.A.²

3
- 0023052482
- R.A. Perry, D.L. Siebers, Nature 324 (1986) 657-658.
- (1986) Nature , vol.324 , pp. 657-658
- Perry, R.A.¹ Siebers, D.L.²

4
- 0026142584
- J.A. Miller, C.T. Bowman, Int. J. Chem, Kinet. 23 (1991) 289-313.
- (1991) Int. J. Chem, Kinet , vol.23 , pp. 289-313
- Miller, J.A.¹ Bowman, C.T.²

5
- 0034159953
- K.H. Becker, R. Kurtenbach, F. Schmidt, P. Wiesen, Combust. Flame 120 (2000) 570-577.
- (2000) Combust. Flame , vol.120 , pp. 570-577
- Becker, K.H.¹ Kurtenbach, R.² Schmidt, F.³ Wiesen, P.⁴

6
- 0021598776
- M.Y. Louge, R.K. Hanson, Combust. Flame 58 (1984) 291-300.
- (1984) Combust. Flame , vol.58 , pp. 291-300
- Louge, M.Y.¹ Hanson, R.K.²

7
- 58149403193
- J.N. Mulvihill, L.F. Phillips, Proc. Combust. Inst. 15 (1975) 1113-1122.
- (1975) Proc. Combust. Inst , vol.15 , pp. 1113-1122
- Mulvihill, J.N.¹ Phillips, L.F.²

8
- 0001454069
- P. Roth, R. Lohr, H.D. Hermanns, Ber. Bunsenges. Phys. Chem. 84 (1980) 835-840.
- (1980) Ber. Bunsenges. Phys. Chem , vol.84 , pp. 835-840
- Roth, P.¹ Lohr, R.² Hermanns, H.D.³

9
- 36449007091
- S.J. Klippenstein, J. Chem. Phys. 96 (1992) 367-371.
- (1992) J. Chem. Phys , vol.96 , pp. 367-371
- Klippenstein, S.J.¹

10
- 0037460979
- Y. Georgievskii, S.J. Klippenstein, J. Chem. Phys. 118 (2003) 5442-5455.
- (2003) J. Chem. Phys , vol.118 , pp. 5442-5455
- Georgievskii, Y.¹ Klippenstein, S.J.²

11
- 0344272374
- Y. Georgievskii, S.J. Klippenstein, J. Phys. Chem. A 107 (2003) 9776-9781.
- (2003) J. Phys. Chem. A , vol.107 , pp. 9776-9781
- Georgievskii, Y.¹ Klippenstein, S.J.²

12
- 33749588177
- J.A. Miller, S.J. Klippenstein, J. Phys. Chem. A 110 (2006) 10528-10544.
- (2006) J. Phys. Chem. A , vol.110 , pp. 10528-10544
- Miller, J.A.¹ Klippenstein, S.J.²

13
- 1842614706
- R.A. Back, J. Childs, Can. J. Chem. 46 (1968) 1023-1024.
- (1968) Can. J. Chem , vol.46 , pp. 1023-1024
- Back, R.A.¹ Childs, J.²

14
- 0348162882
- O. Kajimoto, O. Kondo, K. Okada, J. Fujikane, T. Fueno, Bull. Chem. Soc. Jpn. 58 (1985) 3469-3474.
- (1985) Bull. Chem. Soc. Jpn , vol.58 , pp. 3469-3474
- Kajimoto, O.¹ Kondo, O.² Okada, K.³ Fujikane, J.⁴ Fueno, T.⁵

15
- 0024771305
- J.D. Mertens, A.Y. Chang, R.K. Hanson, C.T. Bowman, Int. J. Chem. Kinet. 21 (1989) 1049-1067.
- (1989) Int. J. Chem. Kinet , vol.21 , pp. 1049-1067
- Mertens, J.D.¹ Chang, A.Y.² Hanson, R.K.³ Bowman, C.T.⁴

16
- 33645848354
- C.H. Wu, H.-t. Wang, M.C. Lin, R.A. Fifer, J Phys. Chem. 94 (1990) 3344-3347.
- (1990) J Phys. Chem , vol.94 , pp. 3344-3347
- Wu, C.H.¹ Wang, H.-T.² Lin, M.C.³ Fifer, R.A.⁴

17
- 0013457725
- J. Mercadier, M. Pignon, F. Calabuig, J. Lede, J. Villermaux, J. Anal. Appl. Pyrolysis 28 (1994) 107-120.
- (1994) J. Anal. Appl. Pyrolysis , vol.28 , pp. 107-120
- Mercadier, J.¹ Pignon, M.² Calabuig, F.³ Lede, J.⁴ Villermaux, J.⁵

18
- 0030562084
- R.A. Brownsword, T. Laurent, R.K. Vatsa, H.-R. Volpp, J. Wolfrum, Chem. Phys. Lett. 249 (1996) 162-166.
- (1996) Chem. Phys. Lett , vol.249 , pp. 162-166
- Brownsword, R.A.¹ Laurent, T.² Vatsa, R.K.³ Volpp, H.-R.⁴ Wolfrum, J.⁵

19
- 0030576437
- R.A. Brownsword, T. Laurent, R.K. Vatsa, H.-R. Volpp, J. Wolfrum, Chem. Phys. Lett. 258 (1996) 164-170.
- (1996) Chem. Phys. Lett , vol.258 , pp. 164-170
- Brownsword, R.A.¹ Laurent, T.² Vatsa, R.K.³ Volpp, H.-R.⁴ Wolfrum, J.⁵

20
- 0001291472
- M. Zyrianov, Th. Droz-Georget, H. Riesler, J. Chem. Phys. 106 (1997) 7454-7457.
- (1997) J. Chem. Phys , vol.106 , pp. 7454-7457
- Zyrianov, M.¹ Droz-Georget, T.² Riesler, H.³

21
- 0001339770
- M. Zyrianov, Th. Droz-Georget, H. Riesler, J. Chem. Phys. 110 (1999) 2059-2068.
- (1999) J. Chem. Phys , vol.110 , pp. 2059-2068
- Zyrianov, M.¹ Droz-Georget, T.² Riesler, H.³

22
- 0001339771
- M. Zyrianov, A. Sanov, Th. Droz-Georget, H. Reisler, J. Chem. Phys. 110 (1999) 10774-10783.
- (1999) J. Chem. Phys , vol.110 , pp. 10774-10783
- Zyrianov, M.¹ Sanov, A.² Droz-Georget, T.³ Reisler, H.⁴

23
- 0000428905
- H.L. Berghout, S.S. Brown, R. Delgado, F.F. Crim, J. Chem. Phys. 109 (1998) 2257.
- (1998) J. Chem. Phys , vol.109 , pp. 2257
- Berghout, H.L.¹ Brown, S.S.² Delgado, R.³ Crim, F.F.⁴

24
- 0035933480
- H.L.. Berghout, S. Hsieh, F.F. Crim, J. Chem. Phys. 114 (2001) 10835-10844.
- H.L.. Berghout, S. Hsieh, F.F. Crim, J. Chem. Phys. 114 (2001) 10835-10844.

25
- 4143144471
- E. Quinones, J. Chen, P.J. Dagdigian, Chem. Phys. Lett. 174 (1990) 65-70.
- (1990) Chem. Phys. Lett , vol.174 , pp. 65-70
- Quinones, E.¹ Chen, J.² Dagdigian, P.J.³

26
- 37049038130
- R.A. Perry, C.F. Melius, Proc. Combust. Inst. 20 (1984) 639-646.
- (1984) Proc. Combust. Inst , vol.20 , pp. 639-646
- Perry, R.A.¹ Melius, C.F.²

27
- 0000291713
- A.M. Mebel, A. Luna, M.C. Lin, K. Morokuma, J. Chem. Phys. 105 (1996) 6439-6454.
- (1996) J. Chem. Phys , vol.105 , pp. 6439-6454
- Mebel, A.M.¹ Luna, A.² Lin, M.C.³ Morokuma, K.⁴

28
- 0001129745
- A.L. Kaledin, Q. Cui, MC. Heaven, K. Morokuma, J. Chem. Phys. 111 (1999) 5004-5016.
- (1999) J. Chem. Phys , vol.111 , pp. 5004-5016
- Kaledin, A.L.¹ Cui, Q.² Heaven, M.C.³ Morokuma, K.⁴

29
- 0000866747
- W.A. Shapley, G.B. Bacskay, J. Phys. Chem. A 101 (1999) 6624-6631.
- (1999) J. Phys. Chem. A , vol.101 , pp. 6624-6631
- Shapley, W.A.¹ Bacskay, G.B.²

30
- 0035967365
- E.F. Valeev, W.D. Allen, H.F. Schaefer III, A.G. Csaszar, A.L.L.. East, J. Phys. Chem. A 105 (2001) 2716-2730.
- E.F. Valeev, W.D. Allen, H.F. Schaefer III, A.G. Csaszar, A.L.L.. East, J. Phys. Chem. A 105 (2001) 2716-2730.

31
- 3142718359
- M.S. Schuurman, S.R. Muir, W.D. Allen, H.F. Schaefer III, J. Chem. Phys. 120 (2004) 11586-11599.
- (2004) J. Chem. Phys , vol.120 , pp. 11586-11599
- Schuurman, M.S.¹ Muir, S.R.² Allen, W.D.³ Schaefer III, H.F.⁴

32
- 27944442787
- Y.-Q. Ding, D.-C. Fang, R.-Z. Liu, Mol. Phys. 103 (2005) 767-774.
- (2005) Mol. Phys , vol.103 , pp. 767-774
- Ding, Y.-Q.¹ Fang, D.-C.² Liu, R.-Z.³

33
- 0001763012
- M. Zyrianov, T. Droz-Georget, H. Reisler, J. Chem. Phys. 105 (1996) 8111.
- (1996) J. Chem. Phys , vol.105 , pp. 8111
- Zyrianov, M.¹ Droz-Georget, T.² Reisler, H.³

34
- 33746614482
- T.H. Dunning Jr., J. Chem. Phys. 90 (1989) 1007-1023.
- (1989) J. Chem. Phys , vol.90 , pp. 1007-1023
- Dunning Jr., T.H.¹

35
- 4143095330
- R.A. Kendall, T.H. Dunning Jr., R.J. Harrison, J. Chem. Phys. 96 (1992) 6796-6806.
- (1992) J. Chem. Phys , vol.96 , pp. 6796-6806
- Kendall, R.A.¹ Dunning Jr., T.H.² Harrison, R.J.³

36
- 3843146349
- D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 98 (1993) 1358-1371.
- (1993) J. Chem. Phys , vol.98 , pp. 1358-1371
- Woon, D.E.¹ Dunning Jr., T.H.²

37
- 0037780883
- H.-J. Werner, P.J. Knowles, J. Chem. Phys. 82 (1985) 5053-5063.
- (1985) J. Chem. Phys , vol.82 , pp. 5053-5063
- Werner, H.-J.¹ Knowles, P.J.²

38
- 5944242677
- P.J. Knowles, H.-J. Werner, Chem. Phys. Lett. 115 (1985) 259-267.
- (1985) Chem. Phys. Lett , vol.115 , pp. 259-267
- Knowles, P.J.¹ Werner, H.-J.²

39
- 24444434383
- H.-J. Werner, P.J. Knowles, J. Chem. Phys. 89 (1988) 5803-5814.
- (1988) J. Chem. Phys , vol.89 , pp. 5803-5814
- Werner, H.-J.¹ Knowles, P.J.²

40
- 11744301188
- P.J. Knowles, H.-J. Werner, Chem. Phys. Lett. 145 (1988) 514-522.
- (1988) Chem. Phys. Lett , vol.145 , pp. 514-522
- Knowles, P.J.¹ Werner, H.-J.²

41
- 84887997836
- MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlof, R.D. Amos, A. Berning, et al, The majority of calculations reported here were done with Version 2002.6
- MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlof, R.D. Amos, A. Berning, et al., The majority of calculations reported here were done with Version 2002.6.

42
- 34249797021
- L.B. Harding, S.J. Klippenstein, Y. Georgievskii, J. Phys. Chem. A 111 (2007) 3789-3801.
- (2007) J. Phys. Chem. A , vol.111 , pp. 3789-3801
- Harding, L.B.¹ Klippenstein, S.J.² Georgievskii, Y.³

43
- 0002507874
- J.M.L. Martin, O. Uzan, Chem. Phys. Lett. 282 (1998) 16-24.
- (1998) Chem. Phys. Lett , vol.282 , pp. 16-24
- Martin, J.M.L.¹ Uzan, O.²

44
- 36448998619
- K. Andersson, P.-A. Malmqvist, B.O. Roos, J. Chem. Phys. 96 (1992) 1218-1226.
- (1992) J. Chem. Phys , vol.96 , pp. 1218-1226
- Andersson, K.¹ Malmqvist, P.-A.² Roos, B.O.³

45
- 0001031742
- H.-J. Werner, Mol. Phys. 89 (1996) 645-661.
- (1996) Mol. Phys , vol.89 , pp. 645-661
- Werner, H.-J.¹

46
- 0000394417
- P. Celani, H.-J. Werner, J Chem. Phys. 112 (2000) 5546-5557.
- (2000) J Chem. Phys , vol.112 , pp. 5546-5557
- Celani, P.¹ Werner, H.-J.²

47
- 84888007105
- Gaussian, Inc, Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel et al., Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998.
- (1998) Gaussian , vol.98
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

48
- 0000217083
- T.J. Lee, A.P. Rendell, P.R. Taylor, J. Phys. Chem. 94 (1990) 5463-5468.
- (1990) J. Phys. Chem , vol.94 , pp. 5463-5468
- Lee, T.J.¹ Rendell, A.P.² Taylor, P.R.³

49
- 33644799996
- D.L. Baulch, C.T. Bowman, C.J. Cobos, et al., J. Phys. Chem. Ref. Data 34 (2005) 757-1397.
- (2005) J. Phys. Chem. Ref. Data , vol.34 , pp. 757-1397
- Baulch, D.L.¹ Bowman, C.T.² Cobos, C.J.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.