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Theoretical Chemistry Accounts

Volumn 97, Issue 1-4, 1997, Pages 59-66

The inner-hydrogen migration in free base porphyrin

(4) Baker, Jon a Kozlowski, Pawel M a,b Jarzecki, Andrzej A a,c Pulay, Peter a

a UNIVERSITY OF ARKANSAS (United States)

b PRINCETON UNIVERSITY (United States)

c INDIANA UNIVERSITY (United States)

Author keywords

Barrier height; DFT; Dynamics; Isomerization

Indexed keywords

EID: 0031285822 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s002140050237 Document Type: Article

Times cited : (62)

References (44)

1
- 0003720206
- Worth, New York
- Beck A, Bleicher MN, Crowe D (1969) Excursions into mathematics. Worth, New York
- (1969) Excursions into Mathematics
- Beck, A.¹ Bleicher, M.N.² Crowe, D.³

2
- 0002042551
- Hirsch A (1994) Chemistry of Fullerenes, 28:79-87
- (1994) Chemistry of Fullerenes , vol.28 , pp. 79-87
- Hirsch, A.¹

3
- 0029292222
- Siegel JS, Seiders TJ (1995) Chem Br 31:313-316
- (1995) Chem Br , vol.31 , pp. 313-316
- Siegel, J.S.¹ Seiders, T.J.²

4
- 0001267538
- Scott LT (1996) Pure Appl Chem 68:291-300
- (1996) Pure Appl Chem , vol.68 , pp. 291-300
- Scott, L.T.¹

5
- 0000932579
- Balaban AT (1996) Bull Soc Chim Belg 105:383-389
- (1996) Bull Soc Chim Belg , vol.105 , pp. 383-389
- Balaban, A.T.¹

6
- 0040834514
- Zhen-Ping Z, Yong-Da G (1996) Carbon 34:173-178
- (1996) Carbon , vol.34 , pp. 173-178
- Zhen-Ping, Z.¹ Yong-Da, G.²

7
- 0029911943
- Dai HJ, Hafner JH, Rinzler AG, Colbert DT, Smalley RE (1996) Nature 384:147-150
- (1996) Nature , vol.384 , pp. 147-150
- Dai, H.J.¹ Hafner, J.H.² Rinzler, A.G.³ Colbert, D.T.⁴ Smalley, R.E.⁵

8
- 0029933201
- Cahill PA, Rohlfing CM (1996) Tetrahedron 52:5247-5256
- (1996) Tetrahedron , vol.52 , pp. 5247-5256
- Cahill, P.A.¹ Rohlfing, C.M.²

9
- 0001673725
- Dravid VP, Lin X., Wang Y, Wang XK, Yee A, Ketterson JB, Chang RPH (1993) Science 259:1601-1604
- (1993) Science , vol.259 , pp. 1601-1604
- Dravid, V.P.¹ Lin, X.² Wang, Y.³ Wang, X.K.⁴ Yee, A.⁵ Ketterson, J.B.⁶ Chang, R.P.H.⁷

10
- 0029233654
- Wang XK, Lin XW, Song SN, Dravid VP, Ketterson JB, Chang RPH (1995) Carbon 33:949-958
- (1995) Carbon , vol.33 , pp. 949-958
- Wang, X.K.¹ Lin, X.W.² Song, S.N.³ Dravid, V.P.⁴ Ketterson, J.B.⁵ Chang, R.P.H.⁶

11
- 0030572016
- Fonesca A, Hernadi K, Nagy JB, Bernaerts D, Lucas AA (1996) J. Mol. Cat. A. Chem 107, 159-168
- (1996) J. Mol. Cat. A. Chem , vol.107 , pp. 159-168
- Fonesca, A.¹ Hernadi, K.² Nagy, J.B.³ Bernaerts, D.⁴ Lucas, A.A.⁵

12
- 0029835973
- Scott LT, Bratcher MS, Hagen S (1996) J. Am. Chem. Soc. 118:8743-8744
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 8743-8744
- Scott, L.T.¹ Bratcher, M.S.² Hagen, S.³

13
- 0000127624
- Rabideau PW, Sygula A (1996) Accts. of Chem. Res. 29, 235-242
- (1996) Accts. of Chem. Res. , vol.29 , pp. 235-242
- Rabideau, P.W.¹ Sygula, A.²

14
- 0004220870
- VCH, Weinheim
- Nicolaou KC, Sorenson EJ (1996) Classics in total synthesis, VCH, Weinheim
- (1996) Classics in Total Synthesis
- Nicolaou, K.C.¹ Sorenson, E.J.²

15
- 33748888245
- Henderson CC, Rohlfing CM, Assink RA, Cahill PA (1994) Angew Chem. Int Ed. Engl. 33:786
- (1994) Angew Chem. Int Ed. Engl. , vol.33 , pp. 786
- Henderson, C.C.¹ Rohlfing, C.M.² Assink, R.A.³ Cahill, P.A.⁴

16
- 0001411892
- Henderson CC, Rohlfing CM, Gillen KT, Cahill PA (1994) Science 264:396
- (1994) Science , vol.264 , pp. 396
- Henderson, C.C.¹ Rohlfing, C.M.² Gillen, K.T.³ Cahill, P.A.⁴

17
- 84985447215
- Liu RF, Zhou XF, Allinger NL (1994) J. Phys. Org. Chem. 7:551-554
- (1994) J. Phys. Org. Chem. , vol.7 , pp. 551-554
- Liu, R.F.¹ Zhou, X.F.² Allinger, N.L.³

18
- 0030575771
- Martin JML (1996). Chem. Phys. Lett. 262:97-104
- (1996) Chem. Phys. Lett. , vol.262 , pp. 97-104
- Martin, J.M.L.¹

19
- 84948355775
- Borchardt A, Baldridge KK, Fuchicello A, Kilway K, Siegel JS (1992) J. Am. Chem. Soc. 114:1921
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 1921
- Borchardt, A.¹ Baldridge, K.K.² Fuchicello, A.³ Kilway, K.⁴ Siegel, J.S.⁵

20
- 0000235346
- Grossman JC, Mitas L, Raghavachari K (1995) Phys. Rev. Lett. 75:3870-3873, and, Taylor PR, Bylaska E, Weare JH, Kawai R Chem.Phys. Lett. 235:558
- (1995) Phys. Rev. Lett. , vol.75 , pp. 3870-3873
- Grossman, J.C.¹ Mitas, L.² Raghavachari, K.³

21
- 0000196547
- Grossman JC, Mitas L, Raghavachari K (1995) Phys. Rev. Lett. 75:3870-3873, and, Taylor PR, Bylaska E, Weare JH, Kawai R Chem.Phys. Lett. 235:558
- Chem.phys. Lett. , vol.235 , pp. 558
- Taylor, P.R.¹ Bylaska, E.² Weare, J.H.³ Kawai, R.⁴

22
- 84987063160
- Panas I, Almlöf JE, Feyereisen MW (1991) Int. J. Quant. Chem. 40:797-807
- (1991) Int. J. Quant. Chem. , vol.40 , pp. 797-807
- Panas, I.¹ Almlöf, J.E.² Feyereisen, M.W.³

23
- 4243241345
- Liu JJ, Feyereisen M W, Almlöf JE, Rohlfing C M (1991) Chem. Phys. Lett. 183, 478-82
- (1991) Chem. Phys. Lett. , vol.183 , pp. 478-482
- Liu, J.J.¹ Feyereisen, M.W.² Almlöf, J.E.³ Rohlfing, C.M.⁴

24
- 0010762388
- Parasuk V, Almlöf JE, Feyereisen MW (1991) J. Am. Chem. Soc. 113:1049-1050
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1049-1050
- Parasuk, V.¹ Almlöf, J.E.² Feyereisen, M.W.³

25
- 44949271539
- Parasuk V, Almlöf JE (1991) Chem. Phys. Lett. 184:187-190
- (1991) Chem. Phys. Lett. , vol.184 , pp. 187-190
- Parasuk, V.¹ Almlöf, J.E.²

26
- 84974980209
- Almlöf JE, Truhlar DG, Lybrand TP (1990) Int. Sci. Rev. 15:252-263
- (1990) Int. Sci. Rev. , vol.15 , pp. 252-263
- Almlöf, J.E.¹ Truhlar, D.G.² Lybrand, T.P.³

27
- 0010763391
- note
- We define the unit of a single basis function as a 'Boys', in honor of Professor Samuel Francis Boys who first demonstrated the feasibility of machine-aided computational chemistry; 1000 basis functions we call a 'Pople', in honor of Professor John Pople who first coupled computational ab initio methods to emerging computer technologies in a general way making possible studies of a magnitude we associate as an earmark of Jan Almlöf

28
- 0004067957
- Plenum, New York
- Dunning TH Jr, Hay PJ (1977) Methods of electronic structure theory, Plenum, New York, pp 1-17
- (1977) Methods of Electronic Structure Theory , pp. 1-17
- Dunning T.H., Jr.¹ Hay, P.J.²

29
- 0004224683
- Dykstra CE (ed) Reidel, Dordrecht
- Almlöf JE, Taylor PR (1984) In: Dykstra CE (ed) Advanced theories and computational approaches to the electronic structure of molecules. Reidel, Dordrecht
- (1984) Advanced Theories and Computational Approaches to the Electronic Structure of Molecules
- Almlöf, J.E.¹ Taylor, P.R.²

30
- 84893169025
- Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Elbert ST (1993) J. Comp. Chem. 14:1347
- (1993) J. Comp. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.¹⁰ Windus, T.L.¹¹ Elbert, S.T.¹²

31
- 0010682614
- Frisch MJ, Trucks GW, Schlegel HB, Gill PMW, Johnson BG, Robb MA, Cheeseman JR, Keith TA, Peterson GA, Montgomery JA, Raghavachari K, Al-Laham MA, Zakrzewski VG, Ortiz JV, Foresman JB, Cioslowski J, Stefanov BB, Nanayakkara A, Challacombe M, Peng CY, Ayala PY, Chen W, Wong MW, Andres JL, Replogle ES, Gomperts R, Martin RL, Fox DJ, Binkley JS, DeFrees DJ, Baker J, Stewart JP, Head-Gordon M, Gonzalez C, Pople JA (1994) Gaussian Pittsburgh P
- (1994) Gaussian Pittsburgh P
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Peterson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrzewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

32
- 0011345355
- Almlöf JE, Roos B, Wahlgren U, Johansen H (1973) J. Elect. Spect. Rel. Phen. 2:51-74
- (1973) J. Elect. Spect. Rel. Phen. , vol.2 , pp. 51-74
- Almlöf, J.E.¹ Roos, B.² Wahlgren, U.³ Johansen, H.⁴

33
- 3242882283
- Jordan KD, Paddon-Row MN (1992) J. Phys. Chem. 96:1188-1196
- (1992) J. Phys. Chem. , vol.96 , pp. 1188-1196
- Jordan, K.D.¹ Paddon-Row, M.N.²

34
- 0025140824
- Haddon RC (1990) J. Am. Chem Soc. 112:3385-3389
- (1990) J. Am. Chem Soc. , vol.112 , pp. 3385-3389
- Haddon, R.C.¹

35
- 33845280943
- Haddon RC (1988) Acc. Chem Res. 21:243
- (1988) Acc. Chem Res. , vol.21 , pp. 243
- Haddon, R.C.¹

36
- 25744455852
- Haddon RC, Brus L E, Raghavachari K (1986) Chem. Phys. Lett. 131:165-169
- (1986) Chem. Phys. Lett. , vol.131 , pp. 165-169
- Haddon, R.C.¹ Brus, L.E.² Raghavachari, K.³

37
- 36749106524
- Dunlap BI, Connolly JWD, Sabin JR (1979) J. Chem. Phys. 71:3396
- (1979) J. Chem. Phys. , vol.71 , pp. 3396
- Dunlap, B.I.¹ Connolly, J.W.D.² Sabin, J.R.³

38
- 3843146349
- Woon DE, Dunning, TH (1993) Ar. J Chem. Phys. 98:1358
- (1993) Ar. J Chem. Phys. , vol.98 , pp. 1358
- Woon, D.E.¹ Dunning, T.H.²

39
- 0000189651
- Becke, AD (1993) J. Chem. Phys. 98:5648-5652
- (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
- Becke, A.D.¹

40
- 33645898818
- Perdew JP, Wang Y (1992) Phys. Rev. B 45:13244
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

41
- 0001324026
- Haddon RC, Elser V (1990) Chem. Phys. Lett. 169:362-364
- (1990) Chem. Phys. Lett. , vol.169 , pp. 362-364
- Haddon, R.C.¹ Elser, V.²

42
- 0004448953
- Fawcett JK, Trotter J (1966) Proc. R. Soc. A289, 366
- (1966) Proc. R. Soc. , vol.A289 , pp. 366
- Fawcett, J.K.¹ Trotter, J.²

43
- 0003622711
- Roos B (ed) Springer, Berlin Heidelberg New York
- Taylor PR (1992) In: Roos B (ed) Lecture Notes in Quantum Chemistry. Springer, Berlin Heidelberg New York, vol. 58
- (1992) Lecture Notes in Quantum Chemistry , vol.58
- Taylor, P.R.¹

44
- 0000517934
- Almlöf JE, Helgaker T, Taylor PR (1988) J. Phys. Chem. 92:3029
- (1988) J. Phys. Chem. , vol.92 , pp. 3029
- Almlöf, J.E.¹ Helgaker, T.² Taylor, P.R.³

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