SCOPUS 정보 검색 플랫폼 - 논문 보기

메뉴 건너뛰기

Journal of Theoretical and Computational Chemistry

Volumn 11, Issue 1, 2012, Pages 143-153

The rate constant of the O( 3P) + HCl → OH + Cl reaction within quantum instanton approximation

(1) Buchowiecki, Marcin a

a UNIVERSITY OF SZCZECIN (Poland)

Author keywords

hydrogen exchange reaction; path integral Monte Carlo; Quantum instanton; thermal rate constant

Indexed keywords

EID: 84857207766 PISSN: 02196336 EISSN: None Source Type: Journal
DOI: 10.1142/S0219633612500095 Document Type: Article

Times cited : (2)

References (61)

1
- 33847089655
- Ravishankara AR, Smith G, Watson RT, Davis DD, J Phys Chem 81:2220, 1977.
- (1977) J Phys Chem , vol.81 , pp. 2220
- Ravishankara, A.R.¹ Smith, G.² Watson, R.T.³ Davis, D.D.⁴

2
- 84963238141
- Karra SB, Senkan SM, Combust Sci Technol 54:333, 1987.
- (1987) Combust Sci Technol , vol.54 , pp. 333
- Karra, S.B.¹ Senkan, S.M.²

3
- 36449001570
- Koizumi H, Schatz GC, Gordon MS, J Chem Phys 95:6421, 1991.
- (1991) J Chem Phys , vol.95 , pp. 6421
- Koizumi, H.¹ Schatz, G.C.² Gordon, M.S.³

4
- 5544224506
- Thompson WH, Miller WH, J Chem Phys 106:142, 1996.
- (1996) J Chem Phys , vol.106 , pp. 142
- Thompson, W.H.¹ Miller, W.H.²

5
- 84857197576
- Moribayashi K, Nakamura H, J Phys Chem 99:154010, 1995.
- (1995) J Phys Chem , vol.99 , pp. 154010
- Moribayashi, K.¹ Nakamura, H.²

6
- 0001597995
- Nobusada K, Toltskhin OI, Nakamura H, J Chem Phys 108:8899, 1998.
- (1998) J Chem Phys , vol.108 , pp. 8899
- Nobusada, K.¹ Toltskhin, O.I.² Nakamura, H.³

7
- 0032096668
- Toltskhin OI, Nobusada K, Nakamura H, J Chem Phys 108:8922, 1998.
- (1998) J Chem Phys , vol.108 , pp. 8922
- Toltskhin, O.I.¹ Nobusada, K.² Nakamura, H.³

8
- 0000089953
- Nobusada K, Nakamura J, J Phys Chem A 103:6715, 1999.
- (1999) J Phys Chem A. , vol.103 , pp. 6715
- Nobusada, K.¹ Nakamura, J.²

9
- 0032045891
- Poirer BJ, J Chem Phys 108:5216, 1998.
- (1998) J Chem Phys , vol.108 , pp. 5216
- Poirer, B.J.¹

10
- 0033559371
- Aoiz FJ, Ba~nares L, Castillo JF, Men-edez M, Verdasco JE, Phys Chem Chem Phys 1:1149, 1999.
- (1999) Phys Chem Chem Phys , vol.1 , pp. 1149
- Aoiz, F.J.¹ Banares, L.² Castillo, J.F.³ Men-edez, M.⁴ Verdasco, J.E.⁵

11
- 0003001699
- Matzikes F, Manthe U, J Chem Phys 110:88, 1999.
- (1999) J Chem Phys , vol.110 , pp. 88
- Matzikes, F.¹ Manthe, U.²

12
- 0001737228
- Matzikes F, Manthe U, J Chem Phys 112:130, 2000.
- (2000) J Chem Phys , vol.112 , pp. 130
- Matzikes, F.¹ Manthe, U.²

13
- 0034230297
- Skokov S, Tsuchida T, Nanbu S, Bowman JM, Gray SK, J Chem Phys 113:227, 2000.
- (2000) J Chem Phys , vol.113 , pp. 227
- Skokov, S.¹ Tsuchida, T.² Nanbu, S.³ Bowman, J.M.⁴ Gray, S.K.⁵

14
- 0034230061
- Nobusada K, Nakamura H, Lin Y, Ramachandran B, J Chem Phys 113:1018, 2000.
- (2000) J Chem Phys , vol.113 , pp. 1018
- Nobusada, K.¹ Nakamura, H.² Lin, Y.³ Ramachandran, B.⁴

15
- 0000780855
- Ramachandran B, Schrader III EA, Senekowitsch J, Wyatt RE, J Chem Phys 111:3862, 1999.
- (1999) J Chem Phys , vol.111 , pp. 3862
- Ramachandran, B.¹ Schrader III, E.A.² Senekowitsch, J.³ Wyatt, R.E.⁴

16
- 0035932711
- Skokov S, Zou S, Bowman JM, Allison TC, Truhlar DG, Lin Y, Ramachandran B, Garrett BC, Lynch BJ, J Phys Chem A 105:2298, 2001.
- (2001) J Phys Chem A. , vol.105 , pp. 2298
- Skokov, S.¹ Zou, S.² Bowman, J.M.³ Allison, T.C.⁴ Truhlar, D.G.⁵ Lin, Y.⁶ Ramachandran, B.⁷ Garrett, B.C.⁸ Lynch, B.J.⁹

17
- 0345043994
- Ramachandran B, Peterson KA, J Chem Phys 119:9590, 2003.
- (2003) J Chem Phys , vol.119 , pp. 9590
- Ramachandran, B.¹ Peterson, K.A.²

18
- 0345475380
- Xie T, Bowman JM, Peterson KA, Ramachandran B, J Chem Phys 119:9601, 2003.
- (2003) J Chem Phys , vol.119 , pp. 9601
- Xie, T.¹ Bowman, J.M.² Peterson, K.A.³ Ramachandran, B.⁴

19
- 0000325422
- Bowman JM, J Phys Chem 95:4960, 1991.
- (1991) J Phys Chem , vol.95 , pp. 4960
- Bowman, J.M.¹

20
- 0001585267
- Zhang DH, Zhang JZH, J Chem Phys 110:7622, 1999.
- (1999) J Chem Phys , vol.110 , pp. 7622
- Zhang, D.H.¹ Zhang, J.Z.H.²

21
- 0001096487
- Isaacson AD, Sund MT, Rai SN, Truhlar DG, J Chem Phys 82:1338, 1985.
- (1985) J Chem Phys , vol.82 , pp. 1338
- Isaacson, A.D.¹ Sund, M.T.² Rai, S.N.³ Truhlar, D.G.⁴

22
- 0001049015
- Liu Y-P, Lu D-H, Gonz-alez-Lafont A, Truhlar DG, Garret BC, J Am Chem Soc 115:7806, 1993.
- (1993) J Am Chem Soc , vol.115 , pp. 7806
- Liu, Y.-P.¹ Lu, D.-H.² Gonz-alez-Lafont, A.³ Truhlar, D.G.⁴ Garret, B.C.⁵

23
- 0345040716
- F.K. Lu (ed Springer- Verlag, Heidelberg
- Takahashi K, Onosaka A, Saito K, Inomata T, Proc 23rd Int Symp Shock Waves, F.K. Lu (ed) Springer-Verlag, Heidelberg, pp. 260-267, 2002.
- (2002) Proc 23rd Int Symp Shock Waves , pp. 260-267
- Takahashi, K.¹ Onosaka, A.² Saito, K.³ Inomata, T.⁴

24
- 0037206815
- Hsiao CC, Lee YP, Wang NS, Wang JH, Lin MC, J Phys Chem 106:10231, 2002.
- (2002) J Phys Chem , vol.106 , pp. 10231
- Hsiao, C.C.¹ Lee, Y.P.² Wang, N.S.³ Wang, J.H.⁴ Lin, M.C.⁵

25
- 84986738387
- Brown RDH, Smith IWM, Int J Chem Kinet 7:301, 1975.
- (1975) Int J Chem Kinet , vol.7 , pp. 301
- Brown, R.D.H.¹ Smith, I.W.M.²

26
- 0011614762
- Singleton D, Cvetanovic R, Int J Chem Kinet 13:301, 1977.
- (1977) Int J Chem Kinet , vol.13 , pp. 301
- Singleton, D.¹ Cvetanovic, R.²

27
- 0001270322
- Hack W, Mex G, Wagner HG, Ber Bunsenges Phys Chem 81:677, 1977.
- (1977) Ber Bunsenges Phys Chem , vol.81 , pp. 677
- Hack, W.¹ Mex, G.² Wagner, H.G.³

28
- 0001466387
- Mahmud K, Kim JS, Fontijn A, J Phys Chem 94:2994, 1990.
- (1990) J Phys Chem , vol.94 , pp. 2994
- Mahmud, K.¹ Kim, J.S.² Fontijn, A.³

29
- 79955477321
- Ge MH, Zheng YJ, Theor Chem Acc 129:173, 2011.
- (2011) Theor Chem Acc , vol.129 , Issue.173
- Ge, M.H.¹ Zheng, Y.J.²

30
- 77149138341
- Wei Q, Wu VW-K, Zhou B, J Theor Comp Chem 8:1177, 2009.
- (2009) J Theor Comp Chem , vol.8 , pp. 1177
- Wei, Q.¹ Wu, V.W.-K.² Zhou, B.³

31
- 0343791207
- Miller WH, Schwartz SD, Tromp JW, J Chem Phys 79:4889, 1983.
- (1983) J Chem Phys , vol.79 , pp. 4889
- Miller, W.H.¹ Schwartz, S.D.² Tromp, J.W.³

32
- 23944447128
- Vanícek J, Miller WH, Castillo JF, Aoiz FJ, J Chem Phys 123:054108, 2005.
- (2005) J Chem Phys , vol.123 , pp. 054108
- Vanícek, J.¹ Miller, W.H.² Castillo, J.F.³ Aoiz, F.J.⁴

33
- 22944439071
- Ceotto M, Yang S, Miller WH, J Chem Phys 122:044109, 2005.
- (2005) J Chem Phys , vol.122 , pp. 044109
- Ceotto, M.¹ Yang, S.² Miller, W.H.³

34
- 1642269882
- Yamamoto T, Miller WH, J Chem Phys 120:3086, 2004.
- (2004) J Chem Phys , vol.120 , pp. 3086
- Yamamoto, T.¹ Miller, W.H.²

35
- 77952990297
- Buchowiecki MR, Vanícek J, J Chem Phys 132:194106, 2010.
- (2010) J Chem Phys , vol.132 , pp. 194106
- Buchowiecki, M.R.¹ Vanícek, J.²

36
- 0003678550
- Oxford University Press
- Chandler D, Introduction to Modern Statistical Mechanics, Oxford University Press, 1987.
- (1987) Introduction to Modern Statistical Mechanics
- Chandler, D.¹

37
- 0003399724
- Academic Press
- Frenkel D, Smit B, Understanding Molecular Simulation, Academic Press, 2002.
- (2002) Understanding Molecular Simulation
- Frenkel, D.¹ Smit, B.²

38
- 2342563859
- Ceotto M, Miller WH, J Chem Phys 120:6356, 2004.
- (2004) J Chem Phys , vol.120 , pp. 6356
- Ceotto, M.¹ Miller, W.H.²

39
- 0041765772
- Miller WH, Zhao Y, Ceotto M, Yang S, J Chem Phys 119:1329, 2003.
- (2003) J Chem Phys , vol.119 , pp. 1329
- Miller, W.H.¹ Zhao, Y.² Ceotto, M.³ Yang, S.⁴

40
- 1642382065
- Zhao Y, Yamamoto T, Miller WH, J Chem Phys 120:3100, 2004.
- (2004) J Chem Phys , vol.120 , pp. 3100
- Zhao, Y.¹ Yamamoto, T.² Miller, W.H.³

41
- 18744406531
- Yamamoto T, Miller WH, J Chem Phys 122:044106, 2005.
- (2005) J Chem Phys , vol.122 , pp. 044106
- Yamamoto, T.¹ Miller, W.H.²

42
- 18144419290
- Li Y, Miller WH, Mol Phys 103:203, 2004.
- (2004) Mol Phys , vol.103 , pp. 203
- Li, Y.¹ Miller, W.H.²

43
- 34648843492
- Vanícek J, Miller WH, J Chem Phys 127:114309, 2007.
- (2007) J Chem Phys , vol.127 , pp. 114309
- Vanícek, J.¹ Miller, W.H.²

44
- 63149086147
- Wang W, Zhao Y, J Chem Phys 130:114708, 2009.
- (2009) J Chem Phys , vol.130 , pp. 114708
- Wang, W.¹ Zhao, Y.²

45
- 77957873873
- Zimmermann T, Vanícek J, J Mol Model 16:1779, 2010.
- (2010) J Mol Model , vol.16 , Issue.1779
- Zimmermann, T.¹ Vanícek, J.²

46
- 77956587674
- Wong K, Sonnenberg J, Paesani F, Yamamoto T, Vanicek J, Zhang W, Schlegel B, Case D, Cheatham TI, Miller W, Voth G, J Chem Theory Comput 6:2566, 2010.
- (2010) J Chem Theory Comput , vol.6 , pp. 2566
- Wong, K.¹ Sonnenberg, J.² Paesani, F.³ Yamamoto, T.⁴ Vanicek, J.⁵ Zhang, W.⁶ Schlegel, B.⁷ Case, D.⁸ Cheatham, T.I.⁹ Miller, W.¹⁰ Voth, G.¹¹

47
- 84857207660
- (published online on 28 April 2011, doi: 10.1002/ qua.23091)
- Buchowiecki M, Int J Q Chem 2011 (published online on 28 April 2011, doi: 10.1002/ qua.23091).
- (2011) Int J Q Chem
- Buchowiecki, M.¹

48
- 0039301327
- Chapman S, Hornstein SM, Miller WH, J Am Chem Soc 97:892, 1975.
- (1975) J Am Chem Soc , vol.97 , pp. 892
- Chapman, S.¹ Hornstein, S.M.² Miller, W.H.³

49
- 42149128161
- Collepardo-Guevara R, Craig IR, Manolopoulos DE, J Chem Phys 128:144502, 2008.
- (2008) J Chem Phys , vol.128 , pp. 144502
- Collepardo-Guevara, R.¹ Craig, I.R.² Manolopoulos, D.E.³

50
- 27644558553
- Vanden-Eijnden E, Tal FA, J Chem Phys 123:184103, 2005.
- (2005) J Chem Phys , vol.123 , pp. 184103
- Vanden-Eijnden, E.¹ Tal, F.A.²

51
- 4544225911
- Peters B, Bell AT, Chakraborty A, J Chem Phys 121:4453, 2004.
- (2004) J Chem Phys , vol.121 , pp. 4453
- Peters, B.¹ Bell, A.T.² Chakraborty, A.³

52
- 0003495236
- McGraw-Hill
- Feynman R, Hibbs A, Quantum Mechanics and Path Integrals, McGraw-Hill, 1965.
- (1965) Quantum Mechanics and Path Integrals
- Feynman, R.¹ Hibbs, A.²

53
- 54649083469
- Topper R, Adv Chem Phys 105:117, 1999.
- (1999) Adv Chem Phys , vol.105 , pp. 117
- Topper, R.¹

54
- 0000797345
- Berne BJ, Thirumalai D, Annu Rev Phys Chem 37:401, 1986.
- (1986) Annu Rev Phys Chem , vol.37 , pp. 401
- Berne, B.J.¹ Thirumalai, D.²

55
- 84967360407
- Statistics, Polymer Physics and Financial Markets, World Scientific, Singapore
- Kleinert H, Path Integrals in Quantum Mechanics, Statistics, Polymer Physics and Financial Markets, World Scientific, Singapore, 2004.
- (2004) Path Integrals in Quantum Mechanics
- Kleinert, H.¹

56
- 11944260941
- Ceperley DM, Rev Mod Phys 67:279, 1995.
- (1995) Rev Mod Phys , vol.67 , pp. 279
- Ceperley, D.M.¹

57
- 36749115948
- Barker JA, J Chem Phys 70:2914, 1979.
- (1979) J Chem Phys , vol.70 , pp. 2914
- Barker, J.A.¹

58
- 0000720458
- Sprik M, Klein ML, Chandler D, Phys Rev B 31:4234, 1985.
- (1985) Phys Rev B. , vol.31 , pp. 4234
- Sprik, M.¹ Klein, M.L.² Chandler, D.³

59
- 21244462345
- Chu T-S, Zhang X, Han K-L, J Chem Phys 122:214301, 2005.
- (2005) J Chem Phys , vol.122 , pp. 214301
- Chu, T.-S.¹ Zhang, X.² Han, K.-L.³

60
- 34548595634
- Chu T-S, Han K-L, Schatz GC, J Phys Chem A 111:8286, 2007.
- (2007) J Phys Chem A. , vol.111 , pp. 8286
- Chu, T.-S.¹ Han, K.-L.² Schatz, G.C.³

61
- 33745043523
- Chu T-S, Zhang Y, Han K-L, Int Rev Phys Chem 25:201, 2006.
- (2006) Int Rev Phys Chem , vol.25 , pp. 201
- Chu, T.-S.¹ Zhang, Y.² Han, K.-L.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.