SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 427, Issue 1-3, 1998, Pages 55-64

DTMM/COSMIC molecular mechanics parameters for alkylphosphines

(3) Szabo M J a Szilagyi R K a Bencze, L a

a UNIVERSITY OF PANNONIA (Hungary)

Author keywords

Alkylphosphines; Force field; Molecular mechanics; Molecular modeling; Parameter quality; Parameterization

Indexed keywords

EID: 0042854794 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(97)00173-5 Document Type: Article

Times cited : (1)

References (41)

1
- 3042988525
- (a) N.L. Allinger, J. Am. Chem. Soc. 99 (1977) 8127.
- (1977) J. Am. Chem. Soc. , vol.99 , pp. 8127
- Allinger, N.L.¹

2
- 0005783175
- (b) N.L. Allinger, QCPE Bull. 12 (1980) 395.
- (1980) QCPE Bull. , vol.12 , pp. 395
- Allinger, N.L.¹

3
- 0041936358
- (c) N.L. Allinger, H. von Voithenberg, Tetrahedron 34 (1978) 627.
- (1978) Tetrahedron , vol.34 , pp. 627
- Allinger, N.L.¹ Von Voithenberg, H.²

4
- 0004151408
- ACS, Washington, DC
- (a) U. Burkert, N.L. Allinger, Molecular Mechanics, ACS, Washington, DC, 1982.
- (1982) Molecular Mechanics
- Burkert, U.¹ Allinger, N.L.²

5
- 0041936354
- (b) J.P. Bowen, N.L. Allinger, J. Org. Chem. 52 (1987) 2937-2938.
- (1987) J. Org. Chem. , vol.52 , pp. 2937-2938
- Bowen, J.P.¹ Allinger, N.L.²

6
- 0024821263
- (a) N.L. Allinger, Y.H. Yuh, J.-H. Lii, J. Am. Chem. Soc. 111 (1989) 8551.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 8551
- Allinger, N.L.¹ Yuh, Y.H.² Lii, J.-H.³

7
- 0001326471
- (b) P.C. Fox, J.P. Bowen, N.L. Allinger, J. Am. Chem. Soc. 114 (1992) 8536-8544.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 8536-8544
- Fox, P.C.¹ Bowen, J.P.² Allinger, N.L.³

8
- 0004325922
- Oxford University Press, Oxford
- M.J.C. Crabbe, J.R. Appleyard, Desktop Molecular Modeller (DTMM), Version 2.0, Oxford University Press, Oxford, 1991.
- (1991) Desktop Molecular Modeller (DTMM), Version 2.0
- Crabbe, M.J.C.¹ Appleyard, J.R.²

9
- 0023325062
- (a) J.G. Vinter, A. Davis, M.R. Saunders, J. Comput. Aided-Mol. Design 1 (1987) 31-51.
- (1987) J. Comput. Aided-Mol. Design , vol.1 , pp. 31-51
- Vinter, J.G.¹ Davis, A.² Saunders, M.R.³

10
- 37049091746
- (b) D.N.J. White, M.J. Bovill, J. Chem. Soc. Perkin Trans. 2 12 (1977) 1610-1623.
- (1977) J. Chem. Soc. Perkin Trans. 2 , vol.12 , pp. 1610-1623
- White, D.N.J.¹ Bovill, M.J.²

11
- 0000084669
- (c) T.L. Hill, J. Chem. Phys. 16 (1948) 399-404.
- (1948) J. Chem. Phys. , vol.16 , pp. 399-404
- Hill, T.L.¹

12
- 84915560429
- V. Gold, D. Bethell (Eds.), Academic Press
- (d) N.L, Allinger, in: V. Gold, D. Bethell (Eds.), Advances in Physical Organic Chemistry, vol. 13, Academic Press, 1976, pp. 17-93.
- (1976) Advances in Physical Organic Chemistry , vol.13 , pp. 17-93
- Allinger, N.L.¹

13
- 0000507364
- (e) N.L. Allinger, M.A. Miller, F.A. van Catledge, J.A. Hirsch, J. Am. Chem. Soc. 89 (1967) 4345-4357.
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 4345-4357
- Allinger, N.L.¹ Miller, M.A.² Van Catledge, F.A.³ Hirsch, J.A.⁴

14
- 0000621350
- (f) N.L. Allinger, J.A. Hirsch, M.A. Miller, I.J. Tyminski, J. Am. Chem. Soc. 91 (1969) 337-343.
- (1969) J. Am. Chem. Soc. , vol.91 , pp. 337-343
- Allinger, N.L.¹ Hirsch, J.A.² Miller, M.A.³ Tyminski, I.J.⁴

15
- 0000543018
- (g) N.L. Allinger, M.T. Tribble, J.A. Miller, D.H. Wertz, J. Am. Chem. Soc. 93 (1971) 1637-1648.
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 1637-1648
- Allinger, N.L.¹ Tribble, M.T.² Miller, J.A.³ Wertz, D.H.⁴

16
- 0000042509
- L.S. Bartell, J. Chem. Phys. 32 (1960) 832.
- (1960) J. Chem. Phys. , vol.32 , pp. 832
- Bartell, L.S.¹

17
- 36849135805
- T. Kojima, E.L. Breig, C.C. Lin, J. Chem. Phys. 35 (1961) 2139.
- (1961) J. Chem. Phys. , vol.35 , pp. 2139
- Kojima, T.¹ Breig, E.L.² Lin, C.C.³

18
- 0042437362
- R. Nelson, J. Chem. Phys. 39 (1963) 2382.
- (1963) J. Chem. Phys. , vol.39 , pp. 2382
- Nelson, R.¹

19
- 0040073355
- L.S. Bartell, L.O. Brockway, J. Chem. Phys. 32 (1960) 512.
- (1960) J. Chem. Phys. , vol.32 , pp. 512
- Bartell, L.S.¹ Brockway, L.O.²

20
- 0000070237
- J.R. Lide, Jr., D.E. Mann, J. Chem. Phys. 29 (1958) 914.
- (1958) J. Chem. Phys. , vol.29 , pp. 914
- Lide J.R., Jr.¹ Mann, D.E.²

21
- 0001164736
- J. Bruckmann, C. Krüger, Acta Crystallogr., Sect. C (Cryst. Struct. Commun.) 51 (1995) 1155.
- (1995) Acta Crystallogr., Sect. C (Cryst. Struct. Commun.) , vol.51 , pp. 1155
- Bruckmann, J.¹ Krüger, C.²

22
- 0000401748
- J.R. Durig, A.W. Cox, Jr., J. Chem. Phys. 64 (1976) 1930.
- (1976) J. Chem. Phys. , vol.64 , pp. 1930
- Durig, J.R.¹ Cox A.W., Jr.²

23
- 0008037393
- J.R. Durig, J.F. Sullivan, S. Craddok, J. Mol. Struct. 145 (1986) 127.
- (1986) J. Mol. Struct. , vol.145 , pp. 127
- Durig, J.R.¹ Sullivan, J.F.² Craddok, S.³

24
- 0008121057
- Y.S. Li, A.W. Cox, Jr., J.R. Durig, J. Mol. Spectrosc. 70 (1978) 34.
- (1978) J. Mol. Spectrosc. , vol.70 , pp. 34
- Li, Y.S.¹ Cox A.W., Jr.² Durig, J.R.³

25
- 0002985131
- J.R. Durig, Y.S. Li, J. Mol. Spectrosc. 70 (1978) 27.
- (1978) J. Mol. Spectrosc. , vol.70 , pp. 27
- Durig, J.R.¹ Li, Y.S.²

26
- 0000811790
- J. Bruckmann, C. Krüger, Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) 51 (1995) 1152.
- (1995) Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) , vol.51 , pp. 1152
- Bruckmann, J.¹ Krüger, C.²

27
- 0006586477
- F.A. Cotton, D.J. Darensbourg, M.F. Fredrich, W.H. Ilsley, J.M. Troup, Inorg. Chem. 20 (1981) 1869.
- (1981) Inorg. Chem. , vol.20 , pp. 1869
- Cotton, F.A.¹ Darensbourg, D.J.² Fredrich, M.F.³ Ilsley, W.H.⁴ Troup, J.M.⁵

28
- 0001283670
- J.A. Davies, S. Dutremez, A.A. Pinkerton, Inorg. Chem. 30 (1991) 2380.
- (1991) Inorg. Chem. , vol.30 , pp. 2380
- Davies, J.A.¹ Dutremez, S.² Pinkerton, A.A.³

29
- 4244044590
- K. Tani, J. Onouchi, T. Yamagata, Y. Kataoka, Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) 51 (1995) 2073.
- (1995) Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) , vol.51 , pp. 2073
- Tani, K.¹ Onouchi, J.² Yamagata, T.³ Kataoka, Y.⁴

30
- 33749158211
- T. Nickel, R. Goddard, C. Krüger, K.-R. Porschke, Angew. Chem. Int. Ed. Engl. 33 (1994) 879.
- (1994) Angew. Chem. Int. Ed. Engl. , vol.33 , pp. 879
- Nickel, T.¹ Goddard, R.² Krüger, C.³ Porschke, K.-R.⁴

31
- 0030192328
- J. Bruckmann, C. Krüger, Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) 52 (1996) 1733.
- (1996) Acta Crystallogr. Sect. C (Cryst. Struct. Commun.) , vol.52 , pp. 1733
- Bruckmann, J.¹ Krüger, C.²

32
- 0041936278
- F.H. Allen, J.E. Davies, J.J. Galloy, O. Johnson, O. Kennard, C.F. Macrae, E.M. Mitchell, G.F. Mitchell, J.M. Smith, D.G. Watson, Cambridge Crystallographic Database, Version 5.11, 1996. See J. Chem. Inf. Comput. Sci., 31 (1991) 187-204.
- (1996) Cambridge Crystallographic Database, Version 5.11
- Allen, F.H.¹ Davies, J.E.² Galloy, J.J.³ Johnson, O.⁴ Kennard, O.⁵ Macrae, C.F.⁶ Mitchell, E.M.⁷ Mitchell, G.F.⁸ Smith, J.M.⁹ Watson, D.G.¹⁰

33
- 0041936278
- F.H. Allen, J.E. Davies, J.J. Galloy, O. Johnson, O. Kennard, C.F. Macrae, E.M. Mitchell, G.F. Mitchell, J.M. Smith, D.G. Watson, Cambridge Crystallographic Database, Version 5.11, 1996. See J. Chem. Inf. Comput. Sci., 31 (1991) 187-204.
- (1991) J. Chem. Inf. Comput. Sci. , vol.31 , pp. 187-204

34
- 0001323764
- (a) T. Oka, J. Phys. Soc. Japan 15 (1960) 2274, Y. Morino, K. Kuchitsu, T. Oka, J. Chem. Phys. 36 (1962) 1108.
- (1960) J. Phys. Soc. Japan , vol.15 , pp. 2274
- Oka, T.¹

35
- 0001299406
- (a) T. Oka, J. Phys. Soc. Japan 15 (1960) 2274, Y. Morino, K. Kuchitsu, T. Oka, J. Chem. Phys. 36 (1962) 1108.
- (1962) J. Chem. Phys. , vol.36 , pp. 1108
- Morino, Y.¹ Kuchitsu, K.² Oka, T.³

36
- 2042447442
- (b) C.C. Constain, J. Chem. Phys. 29 (1958) 864; C.C. Constain, Trans. Am. Crystallogr. Assoc. 2 (1966) 157.
- (1958) J. Chem. Phys. , vol.29 , pp. 864
- Constain, C.C.¹

37
- 2042447442
- (b) C.C. Constain, J. Chem. Phys. 29 (1958) 864; C.C. Constain, Trans. Am. Crystallogr. Assoc. 2 (1966) 157.
- (1966) Trans. Am. Crystallogr. Assoc. , vol.2 , pp. 157
- Constain, C.C.¹

38
- 0041434961
- J. Gasteiger, M. Marsili, Tetrahedron 113 (1980) 2385.
- (1980) Tetrahedron , vol.113 , pp. 2385
- Gasteiger, J.¹ Marsili, M.²

39
- 0003638901
- McGraw-Hill, New York
- J.A. Dean (Ed.), Lange's Handbook of Chemistry, 11th edn., McGraw-Hill, New York, 1973.
- (1973) Lange's Handbook of Chemistry, 11th Edn.
- Dean, J.A.¹

40
- 0001618043
- J.B. Nicholas, R. Vance, E. Martin, B.J. Burke, A.J. Hopfinger, J. Phys. Chem. 95 (1991) 9803.
- (1991) J. Phys. Chem. , vol.95 , pp. 9803
- Nicholas, J.B.¹ Vance, R.² Martin, E.³ Burke, B.J.⁴ Hopfinger, A.J.⁵

41
- 4244022067
- in preparation
- R.K. Szilágyi, M.J. Szabó, L. Bencze, in preparation.
- Szilágyi, R.K.¹ Szabó, M.J.² Bencze, L.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.