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Journal of Molecular Structure: THEOCHEM

Volumn 430, Issue 1-3, 1998, Pages 9-16

An assessment of density functional methods for studying molecular adsorption in cluster models of zeolites

(4) Zygmunt, S A a Mueller, R M a Curtiss, L A b Iton, L E b

a VALPARAISO UNIVERSITY (United States)

b ARGONNE NATIONAL LABORATORY (United States)

Author keywords

Cluster models; Density functional theory; Zeolites

Indexed keywords

EID: 0002406799 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(98)90205-6 Document Type: Article

Times cited : (69)

References (51)

1
- 0000658063
- A. Ison, R.J. Gone, J. Catal. 89 (1984) 150.
- (1984) J. Catal. , vol.89 , pp. 150
- Ison, A.¹ Gone, R.J.²

2
- 0024680168
- A. Jentys, G. Warecka, M. Derewinski. J.A. Lercher, J. Phys. Chem. 93 (1989) 4837.
- (1989) J. Phys. Chem. , vol.93 , pp. 4837
- Jentys, A.¹ Warecka, G.² Derewinski, M.³ Lercher, J.A.⁴

3
- 37049076876
- G. Mirth, J.A. Lercher, M.W. Anderson, J. Klinowski, J. Chem. Soc. Faraday Trans. 86 (1990) 3039.
- (1990) J. Chem. Soc. Faraday Trans. , vol.86 , pp. 3039
- Mirth, G.¹ Lercher, J.A.² Anderson, M.W.³ Klinowski, J.⁴

4
- 0000620116
- H. Jobic, M. Czjzek, R.A. van Santen, J. Phys. Chem. 96 (1992) 1540.
- (1992) J. Phys. Chem. , vol.96 , pp. 1540
- Jobic, H.¹ Czjzek, M.² Van Santen, R.A.³

5
- 0027539514
- L.M. Parker, D.M. Bibby, G.R. Burns, Zeolites 13 (1993) 107.
- (1993) Zeolites , vol.13 , pp. 107
- Parker, L.M.¹ Bibby, D.M.² Burns, G.R.³

6
- 0001559690
- L. Smith, A.K. Cheetham, R.E. Morris, L. Marchese, J.M. Thomas, P.A. Wright, J. Chen, Science 271 (1996) 799.
- (1996) J. Chen, Science , vol.271 , pp. 799
- Smith, L.¹ Cheetham, A.K.² Morris, R.E.³ Marchese, L.⁴ Thomas, J.M.⁵ Wright, P.A.⁶

7
- 33748601212
- F. Wakabayashi, J.N. Kondo, K. Domen, C. Hirose, J. Phys. Chem. 100 (1996) 1442.
- (1996) J. Phys. Chem. , vol.100 , pp. 1442
- Wakabayashi, F.¹ Kondo, J.N.² Domen, K.³ Hirose, C.⁴

8
- 0000586203
- J.D. Gale, C.R.A. Callow, J.R. Carruthers, Chem. Phys. Lett. 216 (1993) 155.
- (1993) Chem. Phys. Lett. , vol.216 , pp. 155
- Gale, J.D.¹ Callow, C.R.A.² Carruthers, J.R.³

9
- 0342535612
- S. Bates, J. Dwyer, J. Mol. Struct. (Theochem) 306 (1994) 57.
- (1994) J. Mol. Struct. (Theochem) , vol.306 , pp. 57
- Bates, S.¹ Dwyer, J.²

10
- 0000762153
- S.A. Zygmunt, H.V. Brand, D.J. Lucas. L.E. Iton, L.A. Curtiss, J. Mol. Struct. (Theochem) 314 (1994) 113.
- (1994) J. Mol. Struct. (Theochem) , vol.314 , pp. 113
- Zygmunt, S.A.¹ Brand, H.V.² Lucas, D.J.³ Iton, L.E.⁴ Curtiss, L.A.⁵

11
- 0027382774
- G.J. Kramer, R.A. van Santen, C. A. Emeis, A.K. Nowak, Nature 363 (1993) 529.
- (1993) Nature , vol.363 , pp. 529
- Kramer, G.J.¹ Van Santen, R.A.² Emeis, C.A.³ Nowak, A.K.⁴

12
- 0346321180
- F. Haase, J. Sauer, J. Phys. Chem. 98 (1994) 3083.
- (1994) J. Phys. Chem. , vol.98 , pp. 3083
- Haase, F.¹ Sauer, J.²

13
- 0348060522
- J. Sauer, P. Ugliengo, E. Garrone, V.R. Saunders, Chem. Rev. 94 (1994) 2095.
- (1994) Chem. Rev. , vol.94 , pp. 2095
- Sauer, J.¹ Ugliengo, P.² Garrone, E.³ Saunders, V.R.⁴

14
- 0029636415
- F. Haase, J. Sauer, J. Am. Chem. Soc. 117 (1995) 3780.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 3780
- Haase, F.¹ Sauer, J.²

15
- 77957298481
- L. Bonneviot, S. Kaliaguine (Eds.), Elsevier, Amsterdam
- S.A. Zygmunt, L.A. Curtiss, L.E. Iton, in: L. Bonneviot, S. Kaliaguine (Eds.), Zeolites: A Refined Tool for Designing Catalytic Sites, Elsevier, Amsterdam, 1995, p. 101.
- (1995) Zeolites: A Refined Tool for Designing Catalytic Sites , pp. 101
- Zygmunt, S.A.¹ Curtiss, L.A.² Iton, L.E.³

16
- 0000263288
- R. Shah, M.C. Payne, M.-H. Lee, J.D. Gale, Science 271 (1996) 1395.
- (1996) Science , vol.271 , pp. 1395
- Shah, R.¹ Payne, M.C.² Lee, M.-H.³ Gale, J.D.⁴

17
- 0030121837
- M. Krossner, J. Sauer, J. Phys. Chem. 100 (1996) 6199.
- (1996) J. Phys. Chem. , vol.100 , pp. 6199
- Krossner, M.¹ Sauer, J.²

18
- 33748604539
- S.A. Zygmunt, L.A. Curtiss, L.E. Iton, M.K. Erhardt, J. Phys. Chem. 100 (1996) 6663.
- (1996) J. Phys. Chem. , vol.100 , pp. 6663
- Zygmunt, S.A.¹ Curtiss, L.A.² Iton, L.E.³ Erhardt, M.K.⁴

19
- 58149324166
- C.W. Bauschlicher, Chem. Phys. Lett. 246 (1995) 40.
- (1995) Chem. Phys. Lett. , vol.246 , pp. 40
- Bauschlicher, C.W.¹

20
- 84987067755
- R. Kaschner, G. Seifert, Int. J. Quant. Chem. 52 (1994) 957.
- (1994) Int. J. Quant. Chem. , vol.52 , pp. 957
- Kaschner, R.¹ Seifert, G.²

21
- 0001298538
- I.A. Topol, S.K. Burt, A.A. Rashin, Chem. Phys. Lett. 247 (1995) 112.
- (1995) Chem. Phys. Lett. , vol.247 , pp. 112
- Topol, I.A.¹ Burt, S.K.² Rashin, A.A.³

22
- 0000255696
- J.E. Combariza, N.R. Kestner, J. Phys. Chem. 99 (1995) 2717.
- (1995) J. Phys. Chem. , vol.99 , pp. 2717
- Combariza, J.E.¹ Kestner, N.R.²

23
- 0000904367
- J. Florián, B.C. Johnson, J. Phys. Chem. 99 (1995) 5899.
- (1995) J. Phys. Chem. , vol.99 , pp. 5899
- Florián, J.¹ Johnson, B.C.²

24
- 0001188328
- J.E. Del Bene, W.B. Person, K. Szczepaniak, J. Phys. Chem. 99 (1995) 10705.
- (1995) J. Phys. Chem. , vol.99 , pp. 10705
- Del Bene, J.E.¹ Person, W.B.² Szczepaniak, K.³

25
- 33748620940
- A.T. Pudzianowski, J. Phys. Chem. 100 (1996) 4781.
- (1996) J. Phys. Chem. , vol.100 , pp. 4781
- Pudzianowski, A.T.¹

26
- 33748641400
- W. Han, S. Suhai, J. Phys. Chem. 100 (1996) 3942.
- (1996) J. Phys. Chem. , vol.100 , pp. 3942
- Han, W.¹ Suhai, S.²

27
- 0001278499
- S.J. Cook, A.K. Chakraborty, A.T. Bell, D.N. Theodorou, J. Phys. Chem. 97 (1993) 6679.
- (1993) J. Phys. Chem. , vol.97 , pp. 6679
- Cook, S.J.¹ Chakraborty, A.K.² Bell, A.T.³ Theodorou, D.N.⁴

28
- 33751385564
- M.S. Stave, J.B. Nicholas, J. Phys. Chem. 97 (1991) 9630.
- (1991) J. Phys. Chem. , vol.97 , pp. 9630
- Stave, M.S.¹ Nicholas, J.B.²

29
- 0000426924
- I. Pápai, A. Goursot, F. Fajula, J. Weber, J. Phys. Chem. 98 (1994) 4654.
- (1994) J. Phys. Chem. , vol.98 , pp. 4654
- Pápai, I.¹ Goursot, A.² Fajula, F.³ Weber, J.⁴

30
- 0006150467
- J. Limtrakul, P. Treesukol, C. Ebner, R. Sansone, M. Probst, Chem. Phys. 215 (1997) 77.
- (1997) Chem. Phys. , vol.215 , pp. 77
- Limtrakul, J.¹ Treesukol, P.² Ebner, C.³ Sansone, R.⁴ Probst, M.⁵

31
- 0012177843
- S.P. Greatbanks, I.H. Hillier, N.A. Burton, P. Sherwood, J. Chem. Phys. 105 (1996) 3770.
- (1996) J. Chem. Phys. , vol.105 , pp. 3770
- Greatbanks, S.P.¹ Hillier, I.H.² Burton, N.A.³ Sherwood, P.⁴

32
- 0001189388
- J.D. Gale, Top. Catal. 3 (1996) 169.
- (1996) Top. Catal. , vol.3 , pp. 169
- Gale, J.D.¹

33
- 0030578068
- E. Nusterer, P.E. Bloechl, K. Schwarz, Chem. Phys. Lett. 253 (1996) 448.
- (1996) Chem. Phys. Lett. , vol.253 , pp. 448
- Nusterer, E.¹ Bloechl, P.E.² Schwarz, K.³

34
- 2342481572
- S.R. Blaskowski, M.A.C. Nascimento, R.A. van Santen, J. Phys. Chem. 100 (1996) 3463.
- (1996) J. Phys. Chem. , vol.100 , pp. 3463
- Blaskowski, S.R.¹ Nascimento, M.A.C.² Van Santen, R.A.³

35
- 0000797455
- S.R. Blaskowski, R.A. van Santen, J. Phys. Chem. 99 (1995) 11728.
- (1995) J. Phys. Chem. , vol.99 , pp. 11728
- Blaskowski, S.R.¹ Van Santen, R.A.²

36
- 4243553426
- A.D. Becke, Phys. Rev. A38 (1988) 3098.
- (1988) Phys. Rev. , vol.A38 , pp. 3098
- Becke, A.D.¹

37
- 0345491105
- C. Lee, W. Yang, R.G. Parr. Phys. Rev. B37 (1988) 785.
- (1988) Phys. Rev. , vol.B37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

38
- 5944261746
- J.P. Perdew, Phys. Rev. B33 (1986) 8822; B34 (E) (1986) 7406.
- (1986) Phys. Rev. , vol.B33 , pp. 8822
- Perdew, J.P.¹

39
- 5944261746
- J.P. Perdew, Phys. Rev. B33 (1986) 8822; B34 (E) (1986) 7406.
- (1986) Phys. Rev. , vol.B34 , Issue.E , pp. 7406

40
- 33645898818
- J.P. Perdew, Y. Wang, Phys. Rev. B45 (1992) 13244.
- (1992) Phys. Rev. , vol.B45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

41
- 0000189651
- A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

42
- 0041401966
- L.A. Curtiss, K. Raghavachari, G.W. Trucks, J.A. Pople, J. Chem. Phys. 94 (1991) 7221.
- (1991) J. Chem. Phys. , vol.94 , pp. 7221
- Curtiss, L.A.¹ Raghavachari, K.² Trucks, G.W.³ Pople, J.A.⁴

43
- 0009780705
- L.A. Curtiss, P.C. Redfern, B.J. Smith, L. Radom, J. Chem. Phys. 104 (1996) 5148.
- (1996) J. Chem. Phys. , vol.104 , pp. 5148
- Curtiss, L.A.¹ Redfern, P.C.² Smith, B.J.³ Radom, L.⁴

44
- 10544251362
- B.J. Smith, L. Radom, J. Phys. Chem. 99 (1995) 6468.
- (1995) J. Phys. Chem. , vol.99 , pp. 6468
- Smith, B.J.¹ Radom, L.²

45
- 0004133516
- Gaussian, Inc., Pittsburgh, PA
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrezewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon. C. Gonzalez, J.A. Pople, Gaussian 94 (Revision B.2), Gaussian, Inc., Pittsburgh, PA, 1995.
- (1995) Gaussian 94 (Revision B.2)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³ Gill, P.M.W.⁴ Johnson, B.G.⁵ Robb, M.A.⁶ Cheeseman, J.R.⁷ Keith, T.A.⁸ Petersson, G.A.⁹ Montgomery, J.A.¹⁰ Raghavachari, K.¹¹ Al-Laham, M.A.¹² Zakrezewski, V.G.¹³ Ortiz, J.V.¹⁴ Foresman, J.B.¹⁵ Cioslowski, J.¹⁶ Stefanov, B.B.¹⁷ Nanayakkara, A.¹⁸ Challacombe, M.¹⁹ Peng, C.Y.²⁰ more..

46
- 45449121606
- J. Datka, M. Boczar, P. Rymarowicz, J. Catal. 114 (1988) 368.
- (1988) J. Catal. , vol.114 , pp. 368
- Datka, J.¹ Boczar, M.² Rymarowicz, P.³

47
- 0012209136
- M.J. Wax, R.R. Cavanagh. J.J. Rush, G.D. Stucky, L. Abrams, D.R. Corbin, J. Phys. Chem. 90 (1986) 532.
- (1986) J. Phys. Chem. , vol.90 , pp. 532
- Wax, M.J.¹ Cavanagh, R.R.² Rush, J.J.³ Stucky, G.D.⁴ Abrams, L.⁵ Corbin, D.R.⁶

48
- 0000034759
- H. Jobic, J. Catal. 131 (1991) 289.
- (1991) J. Catal. , vol.131 , pp. 289
- Jobic, H.¹

49
- 0000513663
- S.A. Zubkov, L.M. Kustov, V.B. Kazansky, I. Girnus. R. Fricke. J. Chem. Soc. Faraday Trans. 87 (1991) 897.
- (1991) J. Chem. Soc. Faraday Trans. , vol.87 , pp. 897
- Zubkov, S.A.¹ Kustov, L.M.² Kazansky, V.B.³ Girnus, I.⁴ Fricke, R.⁵

50
- 33751386391
- H.V. Brand, L.A. Curtiss, L.E. Iton, J. Phys. Chem. 97 (1993) 12773.
- (1993) J. Phys. Chem. , vol.97 , pp. 12773
- Brand, H.V.¹ Curtiss, L.A.² Iton, L.E.³

51
- 0000878934
- U. Messow, K. Quitzsch, H. Herden, Zeolites 4 (1984) 255.
- (1984) Zeolites , vol.4 , pp. 255
- Messow, U.¹ Quitzsch, K.² Herden, H.³

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