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International Journal of Quantum Chemistry

Volumn 84, Issue 2, 2001, Pages 241-248

Nitrenes as intermediates in the thermal decomposition of aliphatic azides

(5) Arenas, J F a Marcos, J I a Otero, J C a Tocon I L a Soto, J a

a UNIVERSITY OF MÁLAGA (Spain)

Author keywords

Ab initio calculations; Azides; Forbidden reactions; Intersystem crossings; Nitrenes

Indexed keywords

CHEMICAL BONDS; INORGANIC ACIDS; MOLECULAR DYNAMICS; NUMERICAL ANALYSIS; OPTIMIZATION; PERTURBATION TECHNIQUES; PYROLYSIS; REACTION KINETICS; SURFACE PROPERTIES;

ACTIVE SPACE SELF-CONSISTENT FIELD METHOD; ALIPHATIC AZIDES; GEOMETRY OPTIMIZATIONS; HYDRAZOIC ACID; NITRENES; SECOND-ORDER MULTIREFERENCE PERTURBATION THEORY;

NITROGEN COMPOUNDS;

EID: 0035812160 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.1326 Document Type: Conference Paper

Times cited : (33)

References (45)

1
- 0001173644
- (1998) Chem Rev , vol.88 , pp. 298
- Scriven, E.F.V.¹ Turnbull, K.²

2
- 0029817441
- (1996) Heterocycl Chem , vol.33 , pp. 1025
- Vantinh, D.¹ Stadlbauer, W.J.²

3
- 0030748829
- (1997) J Am Chem Soc , vol.119 , pp. 6883
- Dyke, J.M.¹ Groves, A.P.² Morris, A.³ Ogden, J.S.⁴ Dias, A.A.⁵ Oliveira, A.M.S.⁶ Costa, M.L.⁷ Barros, M.T.⁸ Cabral, M.H.⁹ Moutinho, A.M.C.¹⁰

4
- 0004126787
- (1970) Can J Chem , vol.48 , pp. 1140
- O'Dell, M.S.¹ DeB. Darwent, B.²

5
- 84982062511
- (1981) Chem Ber , vol.114 , pp. 220
- Bock, H.¹ Dammel, R.² Horner, L.³

6
- 84985509184
- (1987) Angew Chem Int Ed Engl , vol.26 , pp. 504
- Bock, H.¹ Dammel, R.²

7
- 33845279335
- (1988) J Am Chem Soc , vol.110 , pp. 5261
- Bock, H.¹ Dammel, R.²

8
- 0000990244
- (1988) J Chem Phys , vol.89 , pp. 1378
- Stephenson, J.C.¹ Casassa, M.P.² King, D.S.³

9
- 0001560387
- (1988) J Chem Phys , vol.89 , pp. 608
- Foy, B.R.¹ Casassa, M.P.² Stephenson, J.C.³ King, D.S.⁴

10
- 0000657697
- (1989) J Chem Phys , vol.90 , pp. 7037
- Foy, B.R.¹ Casassa, M.P.² Stephenson, J.C.³ King, D.S.⁴

11
- 36549097132
- (1988) J Chem Phys , vol.89 , pp. 1388
- Alexander, M.H.¹ Werner, H.-J.² Dagdigian, P.J.³

12
- 4243374816
- (1990) J Chem Phys , vol.93 , pp. 3037
- Alexander, M.H.¹ Werner, H.-J.² Hemmer, T.³ Knowles, P.J.⁴

13
- 0000607003
- (1999) J Chem Phys , vol.111 , pp. 551
- Arenas, J.F.¹ Marcos, J.I.² Otero, J.C.³ Sánchez-Gálvez, A.⁴ Soto, J.⁵

14
- 0034246254
- (2000) J Chem Phys , vol.113 , pp. 2282
- Arenas, J.F.¹ Marcos, J.I.² López-Tocón, I.³ Otero, J.C.⁴ Soto, J.⁵

15
- 36849115659
- (1971) J Chem Phys , vol.54 , pp. 724
- Ditchfield, R.¹ Hehre, W.J.² Pople, J.A.³

16
- 0347170005
- (1972) J Chem Phys , vol.56 , pp. 2257
- Hehre, W.J.¹ Ditchfield, R.² Pople, J.A.³

17
- 33748545144
- (1973) Theor Chim Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

18
- 33746614482
- (1989) J Chem Phys , vol.90 , pp. 1007
- Dunning T.H., Jr.¹

20
- 36448998619
- (1992) J Chem Phys , vol.96 , pp. 1218
- Andersson, K.¹ Malmqvist, P.-Å.² Roos, B.O.³

21
- 0013004607
- (1990) J Phys Chem , vol.94 , pp. 5483
- Andersson, K.¹ Malmqvist, P.-Å.² Roos, B.O.³

22
- 0003392598
- Department of Theoretical Chemistry, University of Lund; Lund, Sweden
- (1997) MOLCAS Version 4
- Andersson, K.¹ Blomberg, M.R.A.² Fülscher, M.P.³ Karlstöm, G.⁴ Lindh, R.⁵ Malmqvist, P.-Å.⁶ Neogrády, P.⁷ Olsen, J.⁸ Roos, B.O.⁹ Sadlej, A.J.¹⁰ Schütz, M.¹¹ Seijo, L.¹² Serrano-Andrés, L.¹³ Siegbahn, P.E.M.¹⁴ Widmark, P.-O.¹⁵

23
- 0042106817
- (1990) Theor Chim Acta , vol.77 , pp. 291
- Widmark, P.-O.¹ Malmqvist, P.-Å.² Roos, B.O.³

24
- 0542446858
- (1991) J Phys Chem , vol.95 , pp. 6111
- Meier, U.¹ Staemmler, V.²

25
- 36549095692
- (1989) J Chem Phys , vol.90 , pp. 2154
- Gonzalez, C.¹ Schlegel, H.B.²

26
- 33750614386
- (1990) J Phys Chem , vol.94 , pp. 5523
- Gonzalez, C.¹ Schlegel, H.B.²

27
- 36749108391
- (1981) J Chem Phys , vol.74 , pp. 5794
- Werner, H.¹ Meyer, W.²

28
- 84953659222
- (1973) J Chem Phys , vol.59 , pp. 6424
- Hinze, J.¹

29
- 0000418341
- (1982) J Chem Phys , vol.77 , pp. 4073
- Lengsfield, B.H.¹

30
- 0011562697
- (1982) J Phys Chem , vol.86 , pp. 5098
- Diffenderfer, R.N.¹ Yarkony, D.R.²

31
- 0003808647
- Wiley: New York
- (1990) Advances in Molecular Electronic Structure Theory: Calculation and Characterization of Potential Energy Surfaces , vol.1
- Frey, R.F.¹ Davidson, E.R.²

32
- 0000814243
- (1992) Chem Phys Lett , vol.197 , pp. 217
- Ragazos, I.N.¹ Robb, M.A.² Bernardi, F.³ Olivucci, M.⁴

33
- 36749120357
- (1980) J Chem Phys , vol.72 , pp. 99
- Miller, W.H.¹ Handy, N.C.² Adams, J.E.³

34
- 0000535571
- (1999) Spectrochim Acta , vol.55 A , pp. 639
- Bearpark, M.J.¹ Robb, M.A.² Yamamoto, N.³

35
- 0004123902
- Wiley-Interscience: Bristol
- (1976) Vibrational States
- Califano, S.¹

36
- 0000299404
- (1980) J Mol Spectrosc , vol.82 , pp. 220
- Winnewisser, B.P.¹

37
- 0000193413
- (1989) Z Naturforsch , vol.44 A , pp. 669
- Heineking, N.¹ Gerry, M.C.L.²

38
- 0030580643
- (1996) Chem Phys Lett , vol.248 , pp. 165
- Bifone, A.¹ De Groot, H.J.M.² Buda, F.³

39
- 0001367768
- (1999) J Phys Chem A , vol.103 , pp. 9864
- Page, C.S.¹ Merchán, M.² Serrano-Andrés, L.³ Olivucci, M.⁴

40
- 0001298982
- (1992) J Phys Chem , vol.96 , pp. 10768
- Koseki, S.¹ Schmidt, M.W.² Gordon, M.S.³

41
- 11344253304
- (1970) Adv Quantum Chem , vol.5 , pp. 135
- Nikitin, E.E.¹

42
- 36749110616
- (1979) J Chem Phys , vol.71 , pp. 4391
- Desouter-Lecomte, M.¹ Lorquet, J.C.²

43
- 0001460037
- (1992) J Am Chem Soc , vol.114 , pp. 5406
- Yarkony, D.R.¹

44
- 0001535323
- (1983) J Chem Phys , vol.78 , pp. 4567
- Kato, S.¹ Jaffe, R.L.² Komornicki, A.³ Morokuma, K.⁴

45
- 0000740522
- (1964) Z Phys Chem (Leipzig) , vol.81 , pp. 227
- Geiseler, V.G.¹ König, W.²

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