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Journal of Molecular Structure: THEOCHEM

Volumn 585, Issue 1-3, 2002, Pages 105-117

Exploring the potential energy surface of the ethyl cation by new procedures

(2) Quapp, Wolfgang a Heidrich, Dietmar a

a UNIVERSITY OF LEIPZIG (Germany)

Author keywords

Bifurcation points: Saddle points; H scrambling; Reaction path following; Valley ridge inflection points

Indexed keywords

CATION; ETHYL CATION; UNCLASSIFIED DRUG;

ARTICLE; CATION TRANSPORT; CHEMICAL ANALYSIS; CHEMICAL MODIFICATION; ELECTRIC POTENTIAL; ENERGY TRANSFER; MATHEMATICAL ANALYSIS; REACTION ANALYSIS; SURFACE PROPERTY;

EID: 0037123807 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(02)00037-4 Document Type: Article

Times cited : (23)

References (53)

1
- 0009347786
- (1973) Chem. Phys. Lett. , vol.21 , pp. 309
- Zurawski, B.¹ Ahlrichs, R.² Kutzelnigg, W.³

2
- 84981777686
- (1977) Z. Chem. , vol.17 , pp. 67
- Köhler, H.-J.¹ Heidrich, D.² Lischka, H.³

3
- 0004152553
- G.K.S. Prakash, P.v.R. Schleyer (Eds.). Wiley, New York
- (1997) Stable Carbocation Chemistry , pp. 33
- Schleyer, P.V.R.¹ Maerker, P.² Sieber, S.³

4
- 0009394717
- (1976) Tetrahedron , vol.32 , pp. 1193
- Heidrich, D.¹ Grimmer, M.² Köhler, H.-J.³

5
- 0000485527
- (1998) J. Phys. Chem. A , vol.102 , pp. 6831
- Del Rio, E.¹ Lopez, R.² Sordo, T.L.³

6
- 0009460452
- (1997) Eur. Mass Spectrom. , vol.3 , pp. 403
- Uggerud, E.¹

7
- 0004247111
- McGraw-Hill, New York
- (1969) Theory of Reaction Rates
- Laidler, K.¹

8
- 36749120357
- (1980) J. Chem. Phys. , vol.72 , pp. 99
- Miller, W.¹ Handy, N.C.² Adams, J.E.³

9
- 0003508951
- Wiley, New York
- (1997) Advanced Molecular Dynamics and Chemical Kinetics
- Billing, G.D.¹ Mikkelsen, K.V.²

10
- 0000775656
- D. Heidrich (Ed.). Kluwer Academic Publishers, Dordrecht
- (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 229
- Truhlar, D.G.¹

11
- 0001287475
- (1984) Theor. Chim. Acta , vol.66 , pp. 245
- Quapp, W.¹ Heidrich, D.²

12
- 0001407648
- (1998) J. Comput. Chem. , vol.19 , pp. 1087
- Quapp, W.¹ Hirsch, M.² Imig, O.³ Heidrich, D.⁴

13
- 0032509027
- (1998) Theor. Chem. Acc. , vol.100 , pp. 285
- Quapp, W.¹ Hirsch, M.² Heidrich, D.³

14
- 0033485682
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 5291
- Hirsch, M.¹ Quapp, W.² Heidrich, D.³

15
- 0000560754
- (1993) J. Chem. Phys. , vol.98 , pp. 9707
- Sun, J.-Q.¹ Ruedenberg, K.²

16
- 85021438308
- unpublished procedure
- (1996)
- Imig, O.¹ Quapp, W.² Heidrich, D.³

17
- 0035251846
- (2001) Comp. Math. Appl. , vol.41 , pp. 407
- Quapp, W.¹

18
- 0034555694
- (2000) Theor. Chem. Acc. , vol.105 , pp. 145
- Quapp, W.¹ Hirsch, M.² Heidrich, D.³

19
- 0001780197
- D. Heidrich (Ed.). Kluwer Academic Publishers, Dordrecht
- (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 95
- Quapp, W.¹

20
- 0000137128
- (1972) IBM J. Res. Dev. , pp. 504
- Branin, F.H.¹

21
- 0000220644
- (2000) J. Chem. Phys. , vol.113 , pp. 3926
- Wales, D.J.¹

22
- 0001615866
- (2001) J. Chem. Phys. , vol.114 , pp. 609
- Quapp, W.¹

23
- 33847085308
- (1980) Acc. Chem. Res. , vol.13 , pp. 440
- Truhlar, D.G.¹ Garrett, B.C.²

24
- 0009356089
- D. Heidrich (Ed.). Kluwer Academic Publishers, Dordrecht
- (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 191
- Isaacson, A.D.¹

25
- 0000491428
- (1997) J. Chem. Phys. , vol.107 , pp. 9413
- Baboul, A.G.¹ Schlegel, H.B.²

26
- 0032415378
- (1998) Theor. Chem. Acc. , vol.100 , pp. 21
- Eckert, F.¹ Werner, J.²

27
- 0000207218
- (1994) J. Chem. Phys. , vol.100 , pp. 5836
- Ruedenberg, K.¹ Sun, J.-Q.²

28
- 0010834065
- CFS Ltd., Daresbury Lab
- (1993) GAMESS-UK program
- Guest, M.F.¹ Fantucci, P.² Harrison, R.J.³ Kendric, J.⁴ Van Lenthe, J.H.⁵ Schoeffel, K.⁶ Sherwood, P.⁷

29
- 0004465903
- (1970) J. Phys. Chem. , vol.74 , pp. 4161
- Fukui, K.¹

30
- 0005921501
- (1982) J. Mol. Struct. (Theochem) , vol.89 , pp. 365
- Williams, I.H.¹ Maggiora, G.M.²

31
- 20644443250
- (2001) J. Comput. Chem. , vol.22 , pp. 537
- Quapp, W.¹

32
- 0035870576
- (2001) J. Chem. Phys. , vol.114 , pp. 6592
- Lauvergnat, D.¹ Nauts, A.² Justum, Y.³ Chapuisat, X.⁴

33
- 0009355757
- (1998) Chem. Phys. Lett. , vol.292 , pp. 254
- Goto, H.¹

34
- 0033560128
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 1323
- Turner, A.J.¹ Moliner, V.² Williams, I.H.³

35
- 36749114393
- (1981) J. Chem. Phys. , vol.75 , pp. 2800
- Cerjan, C.J.¹ Miller, W.H.²

36
- 0000322994
- (1993) J. Chem. Soc., Faraday Trans. , vol.89 , pp. 1305
- Wales, D.J.¹

37
- 0000594012
- (1994) J. Chem. Phys. , vol.101 , pp. 3750
- Wales, D.J.¹

38
- 0034934307
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 2735
- Quapp, W.¹ Melnikov, V.²

39
- 0000135049
- (1981) Chem. Phys. , vol.337 , pp. 347
- Basilevsky, M.V.¹ Shamov, A.G.²

40
- 0000618150
- (1986) Theor. Chim. Acta , vol.69 , pp. 265
- Hoffman, D.K.¹ Nord, R.S.² Ruedenberg, K.³

41
- 0002991108
- D. Heidrich (Ed.). Kluwer Academic Publishers, Dordrecht
- (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 137
- Quapp, W.¹ Imig, O.² Heidrich, D.³

42
- 0003622704
- Springer, Berlin
- (1991) Properties of Chemically Interesting Potential Energy Surfaces, Lecture Notes in Chemistry , vol.56
- Heidrich, D.¹ Kliesch, W.² Quapp, W.³

43
- 0004073057
- CAOS/CAMM Center Nijmegen Toernooiveld
- (1995) MOLDEN
- Schafternaar, G.¹

44
- 6944251055
- (1934) Phys. Rev. , vol.46 , pp. 618
- Moøller, C.¹ Plesset, M.S.²

45
- 84981802883
- (1976) Z. Chem. , vol.16 , pp. 153
- Heidrich, D.¹ Stromeyer, M.²

46
- 0035826431
- (2001) J. Chem. Phys. , vol.114 , pp. 6051
- Choi, T.H.¹ Park, S.T.² Kim, M.S.³

47
- 0000869286
- (1998) J. Phys. Chem. A , vol.102 , pp. 6441
- Aubery, C.¹ Holmes, J.L.²

48
- 0003733673
- Elsevier, Amsterdam
- (1987) Potential Energy Hypersurfaces
- Mezey, P.G.¹

49
- 0001775907
- (1987) Theor. Chim. Acta , vol.72 , pp. 63
- Basilevsky, M.V.¹

50
- 0033620588
- (1999) J. Mol. Struct. (Theochem.) , vol.465 , pp. 33
- Santana, L.N.¹ Suvire, F.D.² Enriz, R.D.³ Torday, L.L.⁴ Csizmadia, I.G.⁵

51
- 0000147236
- (1999) J. Comput. Chem. , vol.20 , pp. 1671
- Kolossváry, I.¹ Guida, W.C.²

52
- 0043080040
- (1998) Physica A , vol.249 , pp. 415
- Ben-Avraham, D.¹ Tirion, M.M.²

53
- 0001741136
- (1993) J. Mol. Struct. (Theochem.) , vol.285 , pp. 157
- Goto, H.¹

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