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International Journal of Quantum Chemistry

Volumn 87, Issue 3, 2002, Pages 111-134

Density functional and molecular orbital study of physical process of inversion of nitrogen trifluoride (NF3) molecule

(3) Ghosh, Dulal C a Jana, Jibanananda a Bhattacharyya, Soma a

a UNIVERSITY OF KALYANI (India)

Author keywords

Dipole moment; Energy partitioning; Global hardness; Inversion barrier; Localized MO

Indexed keywords

ATOMIC PHYSICS; CHEMICAL BONDS; CONFORMATIONS; ELECTRON TRANSITIONS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

CHARGE DENSITY REORGANIZATION; FRONTIER ORBITAL THEORY; MOLECULAR ORBITAL THEORY; NITROGEN TRIFLUORIDE; PHYSICAL PROCESS; PLANAR TRANSITION STATE; QUANTUM MECHANICAL HYBRIDIZATION;

NITROGEN COMPOUNDS;

EID: 0037139329 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.10087 Document Type: Article

Times cited : (24)

References (55)

1
- 0006485090
- Gillmann, H., Ed.; John Wiley: New York
- (1943) Organic Chemistry, An Advanced Treatises, 2nd Ed. , vol.1 , pp. 402
- Shriner, R.L.¹ Adams, R.² Marvel, C.S.³

2
- 0000443288
- (1965) J Am Chem Soc , vol.87 , pp. 755
- Bottini, A.T.¹ Van Etten, R.L.² Davison, A.J.³

3
- 0006442802
- (1965) J Am Chem Soc , vol.87 , pp. 5796
- Bardos, T.J.¹ Szantay, C.² Krishna Navada, C.³

4
- 0006473992
- (1967) J Am Chem Soc , vol.89 , pp. 81
- Anderson, J.E.¹ Lehn, J.M.²

5
- 0006404873
- (1960) J Am Chem Soc , vol.82 , pp. 1471
- Kincaid, J.F.¹ Henriques, F.C.²

6
- 4243604564
- (1965) J Chem Phys , vol.42 , pp. 2254
- Tolles, W.M.¹ Gwinn, W.D.²

7
- 0034299891
- (2000) Int J Quantum Chem , vol.80 , pp. 1
- Ghosh, D.C.¹ Jana, J.J.² Biswas, R.³

8
- 0001340933
- (1950) Phys Rev , vol.79 , pp. 513
- Sheridan, J.¹ Gordy, W.²

9
- 0006442430
- (1948) Phys Rev , vol.74 , pp. 243
- Gordy, W.¹ Simmons, J.W.² Smith, A.G.³

10
- 85045805316
- (1977) J Chem Phys , vol.66 , pp. 5769
- Schmiedskamp, A.¹ Saarup, S.² Pulay, P.³ Boggs, J.E.⁴

11
- 0006404874
- (1980) J Chem Phys , vol.73 , Issue.8 , pp. 3939
- Marynick, D.S.¹

12
- 0001452231
- (1976) J Am Chem Soc , vol.98 , pp. 1135
- Cherry, W.¹ Epiotis, N.²

13
- 0006442271
- (1977) J Am Chem Soc , vol.99 , pp. 6101
- Dixon, D.A.¹ Marynick, D.S.²

14
- 0003955395
- Oxford University Press: London
- (1972) Valence, 2nd Ed. , pp. 221
- Coulson, C.A.¹

15
- 0003438540
- Cornerll University Press: Ithaca, NY
- (1940) The Nature of Chemical Bond
- Pauling, L.¹

16
- 0003456926
- McGraw-Hill: New York
- (1969) The Molecular Orbital Theory of Organic Chemistry , pp. 143
- Dewar, M.J.S.¹

17
- 25744468363
- (1953) J Chem Soc
- Walsh, A.D.¹

18
- 0001122408
- (1974) J Am Chem Soc , vol.96 , pp. 2030
- Deb, B.M.¹

19
- 0006405838
- (1969) J Am Chem Soc , vol.91
- Pearson, R.G.¹

20
- 0042650868
- (1970) J Chem Phys , vol.52 , pp. 2167
- Pearson, R.G.¹

21
- 85046517548
- (1970) J Chem Phys , vol.53 , pp. 2986
- Pearson, R.G.¹

22
- 0006470067
- (1989) J Org Chem , vol.54 , pp. 423
- Pearson, R.G.¹

23
- 0001776482
- (1989) Science , vol.245 , pp. 37
- Faust, W.L.¹

24
- 0013602932
- (1990) J Am Chem Soc , vol.112 , pp. 5720
- Zhou, Z.¹ Parr, R.G.²

25
- 1842691295
- (1987) J Chem Educ , vol.64 , pp. 561
- Pearson, R.G.¹

26
- 0000084778
- (1999) J Chem Educ , vol.76 , pp. 267
- Pearson, R.G.¹

27
- 33845278822
- (1988) J Am Chem Soc , vol.110 , pp. 2092
- Pearson, R.G.¹

28
- 0347136120
- (1989) J Am Chem Soc , vol.111 , pp. 7371
- Zhou, Z.¹ Parr, R.G.²

29
- 33947306004
- (1968) J Chem Educ , vol.45 , pp. 754
- Bartell, L.S.¹

30
- 0001441182
- (1988) Inorg Chem , vol.27 , pp. 3259
- Burdett, J.K.¹ Coddens, B.K.² Kulkarni, G.V.³

31
- 0041919232
- (1993) Acc Chem Res , vol.26 , pp. 250
- Pearson, R.G.¹

32
- 0000194564
- (1999) Current Sci , vol.76 , pp. 570
- Ghosh, D.C.¹ Jana, J.²

33
- 0006403885
- to appear
- (2001) J Indian Chem Soc
- Ghosh, D.C.¹

34
- 10644250257
- (1964) Phys Rev , vol.B136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

35
- 0000458275
- (1965) Phys Rev , vol.A140 , pp. 1135
- Kohn, W.¹ Sham, L.²

36
- 0000042440
- (1983) Annu Rev Phys Chem , vol.34 , pp. 631
- Parr, R.G.¹

37
- 0345114077
- (1963) J Am Chem Soc , vol.85 , pp. 3533
- Pearson, R.G.¹

38
- 0342996701
- (1966) Science , vol.151 , pp. 172
- Pearson, R.G.¹

39
- 36749117171
- (1978) J Chem Phys , vol.68 , pp. 3801
- Parr, R.G.¹ Donnelly, R.A.² Palke, W.E.³ Levy, M.⁴

40
- 0347291894
- (1983) J Am Chem Soc , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

41
- 0003569570
- Oxford University Press: Oxford
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

42
- 3342943865
- (1991) J Am Chem Soc , vol.113 , pp. 1854
- Parr, R.G.¹ Chattaraj, P.K.²

43
- 0001758790
- (1992) J Phys Chem , vol.96 , pp. 3283
- Pearson, R.G.¹ Palke, W.E.²

44
- 0001049154
- (1994) J Phys Chem , vol.98 , pp. 9143
- Chattaraj, P.K.¹ Nath, S.² Sannigrahi, A.B.³

45
- 0001081184
- (1992) J Phys Chem , vol.96 , pp. 2409
- Dutta, D.¹

46
- 0000304168
- (1970) Theoret Chim Acta , vol.16 , pp. 163
- Fischer, H.¹ Kollmar, H.²

47
- 0006442277
- (1993) J Chem Phys , vol.97 , pp. 4059
- Gazqueze, J.L.¹ Martinez, A.² Mendez, F.³

48
- 36849112438
- (1968) J Chem Phys , vol.49 , pp. 65
- Trindle, C.¹ Sinanoglu, O.²

49
- 0006486359
- (1969) J Am Chem Soc , vol.91 , pp. 853
- Trindle, C.¹ Sinanoglu, O.²

50
- 36849120328
- (1965) J Chem Phys , vol.43
- Pople, J.A.¹ Santry, D.P.² Segal, G.A.³

51
- 0003455716
- Mc Graw-Hill: New York
- (1970) Approximate Molecular Orbital Theory
- Pople, J.A.¹ Beveridge, D.L.²

52
- 36849138065
- (1951) J Chem Phys , vol.19 , pp. 1445
- Roothaan, C.C.J.¹

53
- 0006438287
- (1969) J Am Chem Soc , vol.91 , pp. 3122
- Gordon, M.S.¹

54
- 33947479158
- (1961) Chem Rev , vol.61 , pp. 275
- Bent, H.A.¹

55
- 85087322135
- (1988) J Chem Educ , vol.65 , pp. 668
- Martin, R.B.¹

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