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Journal of Chemical Physics

Volumn 116, Issue 10, 2002, Pages 4311-4316

Local reactivity index defined through the density of states describes the basicity of alkaline-exchanged zeolites

(4) Santos, Juan C a Contreras, Renato a Chamorro, Eduardo a Fuentealba, Patricio a

a UNIVERSITY OF CHILE (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; APPROXIMATION THEORY; ATOMS; ELECTRONIC DENSITY OF STATES; FERMI LEVEL; FUNCTIONS; ION EXCHANGE; MATHEMATICAL MODELS; OXYGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

ALKALINE EXCHANGED ZEOLITES; FRONTIER ORBITAL BASED APPROXIMATIONS; FUKUI FUNCTION; LOCAL DESCRIPTORS; LOCAL REACTIVITY INDEX; LOCAL SOFTNESS;

ZEOLITES;

EID: 0037040802 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1449944 Document Type: Article

Times cited : (24)

References (29)

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

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

3
- 0347291894
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7512
- Parr, R.G.¹ Pearson, R.G.²

4
- 0008912931
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 4591
- Parr, R.G.¹ Yang, W.²

5
- 0022135674
- (1985) Proc. Natl. Acad. Sci. USA , vol.82 , pp. 6723
- Yang, W.¹ Parr, R.G.²

6
- 0034600348
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 4145
- Pal, S.¹ Chandrakumar, K.²

7
- 0001096880
- (1999) J. Phys. Chem. A , vol.103 , pp. 2489
- Chatterje, A.¹ Iwasaki, T.² Ebina, T.³

8
- 0033518323
- (1999) J. Phys. Chem. A , vol.103 , pp. 9857
- Chatterje, A.¹ Iwasaki, T.²

9
- 0001154851
- (1999) Chem. Phys. Lett. , vol.304 , pp. 405
- Contreras, R.¹ Fuentealba, P.² Galvan, M.³ Perez, P.⁴

10
- 0001288871
- (1998) J. Phys. Chem. A , vol.102 , pp. 3746
- Roy, R.¹ Krishnamurty, S.² Geerlings, P.³ Pal, S.⁴

11
- 0034731166
- (2000) Chem. Phys. Lett. , vol.332 , pp. 576
- Deka, R.¹ Kinkar, R.² Hirao, K.³

12
- 0000746479
- (1999) J. Phys. Chem. A , vol.103 , pp. 5978
- Deka, R.¹ Vetrivel, R.² Pal, S.³

13
- 0000984873
- (1997) J. Comput. Chem. , vol.18 , pp. 562
- Greatbanks, S.P.¹ Hillier, I.H.² Sherwood, P.³

14
- 0024302835
- (1989) Chem. Rev. , vol.89 , pp. 199
- Sauer, J.¹

15
- 0031234999
- (1997) J. Phys. Chem. A , vol.101 , pp. 7253
- Krishnamurty, S.¹ Roy, R.² Vetrivel, R.³ Iwata, S.⁴ Pal, S.⁵

16
- 33751500720
- (1991) J. Phys. Chem. , vol.95 , pp. 9425
- Kassab, E.¹ Seiti, K.² Allavena, M.³

17
- 0035863215
- (2001) J. Mol. Struct.: THEOCHEM , vol.535 , pp. 31
- Deka, R.C.¹ Tajima, N.² Hirao, K.³

18
- 0001290057
- (1990) Chem. Phys. Lett. , vol.168 , pp. 461
- Allavena, M.¹ Seiti, K.² Kassab, E.³ Ferenczy, G.⁴ Angyan, J.G.⁵

19
- 0031556721
- (1997) J. Phys. Chem. B , vol.101 , pp. 9292
- Ferrari, A.M.¹ Neyman, K.² Rosch, N.³

20
- 0030283338
- (1996) Catal. Rev. - Sci. Eng. , vol.38 , pp. 521
- Barthomeuf, D.¹

21
- 37049086792
- (1992) J. Chem. Soc., Faraday Trans. , vol.88 , pp. 2753
- Uytterhoeven, L.¹ Dompas, D.² Mortier, W.J.³

22
- 36449002885
- (1994) J. Chem. Phys. , vol.101 , pp. 8988
- Cohen, M.H.¹ Ganduglia-Pirovano, M.V.² Kudrnovsky, J.³

23
- 0001415366
- (1999) J. Phys. Chem. B , vol.103 , pp. 7920
- Vayssilov, G.¹ Staufer, M.² Belling, T.³ Neyman, K.⁴ Knözinger, H.⁵ Rösch, N.⁶

24
- 0004133516
- (Gaussian, Pittsburgh, PA)
- (1998) Gaussian 98, Revision A9
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

25
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

26
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

27
- 0038596731
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

28
- 49049133260
- (1989) Chem. Phys. Lett. , vol.89 , pp. 418
- Fuentealba, P.¹ Preuss, H.² Stoll, H.³ Szentpaly, L.⁴

29
- 0001215088
- (1984) J. Chem. Phys. , vol.81 , pp. 2732
- Stoll, H.¹ Fuentealba, P.² Schwerdtfeger, P.³ Flad, J.⁴ Szentpaly, L.⁵ Preuss, H.⁶

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