SCOPUS 정보 검색 플랫폼

Proceedings of the Indian Academy of Sciences - Chemical Sciences

Volumn 106, Issue 2, 1994, Pages 183-193

The Fukui function of an atom in a molecule: A criterion to characterize the reactive sites of chemical species

(2) Méndez, Francisco a Gázquez, José l a

a DEPARTAMENTO DE QUÍMICA (Mexico)

Author keywords

Fukui function; hard and soft acids and bases; pyridinium ion

Indexed keywords

ACIDS; ATOMS; DENSITY (SPECIFIC GRAVITY); ELECTRON TRANSPORT PROPERTIES; ELECTRONS; IONS; OXIDES; QUANTUM THEORY; SUBSTITUTION REACTIONS;

CHARGE TRANSFER PROCESS; CHEMICAL POTENTIAL EQUALIZATION PRINCIPLE; DENSITY FUNCTIONAL THEORY; ELECTROPHILIC SUBSTITUTION; FUKUI FUNCTIONS; NUCLEOPHILIC; PYRIDINE OXIDE; PYRIDINIUM ION;

MOLECULES;

EID: 0028409369 PISSN: 02534134 EISSN: 09737103 Source Type: Journal
DOI: 10.1007/BF02840742 Document Type: Article

Times cited : (57)

References (54)

1
- 33845378183
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6811
- Berkowitz, M.¹ Ghosh, S.K² Parr, R.G³

2
- 16244381588
- (1988) J. Chem. Phys. , vol.88 , pp. 2554
- Berkowitz, M.¹ Parr, R.G²

3
- 0000080818
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1855
- Chattaraj, P.K¹ Lee, H.² Parr, R.G³

4
- 0001344616
- (1993) Chem. Phys. Lett. , vol.212 , pp. 223
- Chattaraj, P.K¹ Nath, S.² Sannigrahi, A.B³

5
- 0001170373
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 1084
- Cioslowski, J.¹ Mixon, S.T²

6
- 0001323342
- (1993) J. Chem. Phys. , vol.98 , pp. 1606
- Dal¹ Galván, M.² Arias, T.A³ Joannopoulos, J.D⁴

7
- 0001081184
- "Hardness profile" of a reaction path
- (1992) The Journal of Physical Chemistry , vol.96 , pp. 2409
- Data, D.¹

8
- 0004119863
- Springer India, West Berlin
- (1973) Theory of orientation and stereoselection
- Fukui, K.¹

9
- 3343007630
- (1993) Phys. Rev. Lett. , vol.70 , pp. 21
- Galván, M.¹ Dal² Joannopoulos, J.D³

10
- 0001112935
- (1993) J. Phys. Chem. , vol.97 , pp. 783
- Galván, M.¹ Dal² Wang, J.³ Joannopoulos, J.D⁴

11
- 0003428857
- K.D, Sen, Springer India, Berlin
- (1993) Chemical hardness. Structure and Bonding 80
- Gázquez, J.L¹

12
- 0006442277
- (1993) J. Phys. Chem. , vol.97 , pp. 4059
- Gázquez, J.L¹ Martinez, A.² Méndez, F.³

13
- 0002238128
- (1990) Chem. Phys. Lett. , vol.172 , pp. 77
- Ghosh, S.K¹

14
- 36549097300
- (1985) J. Chem. Phys. , vol.83 , pp. 2976
- Ghosh, S.K¹ Berkowitz, M.²

15
- 85005577407
- Aspects of the Softness and Hardness Concepts of Density-Functional Theory
- (1991) Israel Journal of Chemistry , vol.31 , pp. 395
- Harbola, M.K¹ Chattaraj, P.K² Parr, R.G³

16
- 4243585088
- (1968) J. Am. Chem. Soc. , vol.90 , pp. 223
- Klopman, G.¹

17
- 0003721820
- Wiley, New Delhi
- (1974) Chemical reactivity and reaction paths
- Klopman, G.¹

18
- 0000394957
- (1990) Phys. Rev. , vol.41 A , pp. 3489
- Kugler, A.A¹

19
- 6144255611
- (1990) J. Mol. Struc. (Theochem) , vol.207 , pp. 115
- Langenaeker, W.¹ De Decker, M.² Geerlings, P.³

20
- 0007019352
- (1991) J. Mol. Struc. (Theochem) , vol.234 , pp. 329
- Langenaeker, W.¹ Demel, K.² Geerlings, P.³

21
- 45549110904
- (1988) J. Mol. Struc. (Theochem) , vol.163 , pp. 305
- Lee, C.¹ Yang, W.² Parr, R.G³

22
- 0003442182
- J.K, Labanowski, J.W, Andzelm, Springer India, New Delhi
- (1991) Density functional methods in chemistry , pp. 387
- Méndez, F.¹ Galván, M.²

23
- 0002086637
- (1992) J. Mol. Struc. Theochem) , vol.277 , pp. 81
- Méndez, F.¹ Galván, M.² Garritz, A.³ Vela, A.⁴ Gázquez, J.L⁵

24
- 0342876686
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 4315
- Mortier, W.J¹ Ghosh, S.K² Shankar, S.³

25
- 33645848041
- (1985) J. Phys. Chem. , vol.89 , pp. 2831
- Nalewajski, R.F¹

26
- 33645840658
- (1988) Z. Naturforsch. , vol.43 A , pp. 65
- Nalewajski, R.F¹

27
- 33845184050
- (1989) J. Phys. Chem. , vol.93 , pp. 2658
- Nalewajski, R.F¹

28
- 0024960692
- (1989) J. Mol. Catal. , vol.54 , pp. 324
- Nalewajski, R.F¹ Korchowiec, J.²

29
- 84990642299
- (1988) Int. J. Quantum Chem. , vol.22 S , pp. 349
- Nalewajski, R.F¹ Korchowiec, J.² Zhou, Z.³

30
- 0000360863
- (1993) J. Phys. Chem. , vol.97 , pp. 4404
- Pal, S.¹ Vaval, N.² Roy, R.³

31
- 3342943865
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 1854
- Parr, R.G¹ Chattaraj, P.K²

32
- 36749117171
- Electronegativity: The density functional viewpoint
- (1978) The Journal of Chemical Physics , vol.68 , pp. 3801
- Parr, R.G¹ Donnelly, R.A² Levy, M.³ Palke, W.E⁴

33
- 0039644132
- (1993) J. Phys. Chem. , vol.97 , pp. 3939
- Parr, R.G¹ Gázquez, J.L²

34
- 0347291894
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G¹ Pearson, R.G²

35
- 0042534101
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4049
- Parr, R.G¹ Yang, W.²

36
- 0003569570
- Oxford University Press, New Delhi
- (1989) Density functional theory of atoms and molecules
- Parr, R.G¹ Yang, W.²

37
- 0003591704
- Dowden, Hutchinson and Ross, Stroudsville, PA
- (1973) Hard and soft acids and bases
- Pearson, R.G¹

38
- 33845377130
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 6801
- Pearson, R.G¹

39
- 0001446453
- Absolute electronegativity and hardness correlated with molecular orbital theory
- (1986) Proceedings of the National Academy of Sciences , vol.83 , pp. 8440
- Pearson, R.G¹

40
- 1842691295
- (1987) J. Chem. Educ. , vol.64 , pp. 561
- Pearson, R.G¹

41
- 33845279880
- (1988) Inorg. Chem. , vol.27 , pp. 734
- Pearson, R.G¹

42
- 0005937043
- (1990) Coordination Chem. Rev. , vol.100 , pp. 403
- Pearson, R.G¹

43
- 0001758790
- (1992) J. Phys. Chem. , vol.96 , pp. 3283
- Pearson, R.G¹ Palke, W.E²

44
- 84935469316
- Peterson M and Poirier R A 1988 Program MONSTERGAUSS

45
- 0242323120
- H.F, Schaefer, Plenum, New Delhi
- (1977) Applications of electronic structure theory , pp. 153
- Pulay, P.¹

46
- 0003890065
- 2nd edn., Academic Press, New Delhi
- (1976) Chemical bonds and bond energy
- Sanderson, R.T¹

47
- 0003428857
- Springer India, Berlin
- (1993) Chemical hardness. Structure and Bonding 80
- Sen, K.D¹

48
- 0008845023
- Springer India, Berlin
- (1987) Electronegativity. Structure and Bonding 66
- Sen, K.D¹ Jorgensen, C.K²

49
- 33845377429
- (1985) J. Phys. Chem. , vol.89 , pp. 5412
- Yang, W.¹ Lee, C.² Ghosh, S.K³

50
- 33845375966
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.J²

51
- 0022135674
- (1985) Proc. Natl. Acad. Sci. USA , vol.82 , pp. 6723
- Yang, W.¹ Parr, R.G²

52
- 0347136120
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 7371
- Zhou, Z.¹ Parr, R.G²

53
- 0013602932
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 5720
- Zhou, Z.¹ Parr, R.G²

54
- 0001354699
- (1988) Tetrahedron Lett. , vol.29 , pp. 4843
- Zhou, Z.¹ Parr, R.G² Garst, J.F³

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