References
N.Y. Chen and T.F. Degnan, Chem. Eng. Prog. Feb., 32 (1988).
H. Hamada, Y. Kintaichi, T. Yoshinari, M. Tabata, M. Sasaki, and T. Ita, Catal. Today 17, 111 (1993).
W. Holderich, M. Hesse, and F. Naumann, Angew. Chem. Int. Ed. Engl. 27 226 (1988).
R.V. Jasra, N.V. Choudary, and S.G.T. Bhat, Sep. Sci. Technol. 26 885 (1991).
G.A. Stucky, Science 247, 669 (1990).
A. Miyamoto, T. Hattori, and T. Inui, Appl. Surf. Sci. 60/61 660 (1992); A. Miyamoto, R. Yamauchi, and M. Kubo, Appl. Surf. Sci. 75, 51 81994).
A. Miyamoto, T. Hattori, and T. Inui, Physica C 190, 93 (1991).
A. Miyamoto, K. Takeichi, T. Hattori, M. Kubo, and T. Inui, Jpn. J. Appl. Phys. 31, 4463 (1992).
A. Miyamoto, K. Matsuba, M. Kubo, K. Kawamura, and T. Inui, Chemistry Lett. 2055 (1991).
P. Demontis, G.B. Suffritti, S. Quarteri, E.S. Fois, and A. Gamba, Zeolites 7, 522 (1987).
P. Santikary, S. Yashonath, and G. Anathakrishna, J. Phys. Chem. 96 10469 (1992).
J.O. Titiloye, S.C. Parker, F.S. Stone, and C.R.A. Catlow, J. Phys. Chem. 95, 4038 (1991).
J.B. Nicholas, F.R. Trouw, J.E. Mertz, L.E. Iton, and A.J. Hopfinger, J. Phys. Chem. 97, 4149 (1993).
J. Sauer, Chem. Rev. 89, 199 (1989).
S. Beran. In: Theoretical Aspects of Heterogeneous Catalysis, J.B. Moffat (Ed.), van Nostrand Reinhold, New York, (1990), p. 160.
K. Kawamura. In: Introduction to Molecular Simulations I. Okada and E. Osawa (Eds.), Kaibun-do, Tokyo, 1989, Chapters 6 and 7.
Cerius 2 Computational and Analytical Instrumentation User's Guide, Release 1.0, Molecular Simulation Inc., Massachusette, USA, 1994.
A. Hirotani, K. Mizukami, R. Miura, H. Takaba, T. Miya, A. Fahmi, A. Stirling, M. Kubo, and A. Miyamoto, Appl. Surf. Sci., in press.
S. Prasad and R. Vetrivel, J. Mol. Catal. 84, 299 (1993).
M.J.S. Dewar, E.G. Zoebisch, E.F. Healy, and J.J.P. Stewart, J. Am. Chem. Soc. 107, 3902 (1985).
W. Kohn and L.J. Sham, Phys. Rev. A 140, 1133 (1965).
U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
B. Delley, J. Chem. Phys. 92, 508 (1990).
A. Becke, J. Chem. Phys. 88, 2547 (1988).
C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B 37, 786 (1988).
R. Miura, H. Yamano, R. Yamauchi, M. Katagiri, M. Kubo, R. Vetrivel, and A. Miyamoto, Catal. Today 23, 409 (1995).
R. Vetrivel, R.C. Deka, A. Chatterjee, M. Kubo, E. Broclawik, and A. Miyamoto, Theor. Comp. Chem. 3, 509 (1996).
J. Tomasi. In: Chemical Application of Atomic and Molecular Electrostaic Potentials P. Politzer and D.G. Truhler (Eds.), Plenum, New York, 151, 1981.
Y. Oumi, K. Matsuba, M. Kubo, T. Inui, and A. Miyamoto, Microporous Mater. 4, 53 (1995).
A. Miyamoto, H. Himei, Y. Oka, E. Maruya, M. Katagiri, R. Vetrivel, and M. Kubo, Catal. Today 22, 87 (1994).
Y. Oumi, M. Yamadaya, T. Kanougi, M. Kubo, A. Stirling, R. Vetrivel, E. Broclawik, and A. Miyamoto, Catal. Lett. 45, 21 (1997).
A. Miyamoto and M. Kubo, Stud. Surf. Sci. Catal. 83, 117 (1994).
A. Miyamoto, H. Himei, E. Maruya, M. Katagiri, R. Vetrivel, and M. Kubo, Stud. Surf. Sci. Catal. 90, 217 (1994).
H. Himei, M. Yamadeya, Y. Oumi, M. Kubo, A. Stirling, R. Vetrivel, E. Broclawik, and A. Miyamoto, Microporous Mater. 7, 235 (1996).
M. Kubo, A. Miyamoto, and T. Inui, Stud. Surf. Sci. Catal. 80, 333 (1993).
K. Mizukami, H. Takaba, Y. Oumi, M. Katagiri, M. Kubo, A. Stirling, and A. Miyamoto, Stud. Surf. Sci. Catal. 105, 1811 (1997).
R. Vetrivel, H. Takaba, M. Katagiri, M. Kubo, and A. Miyamoto, Stud. Surf. Sci. Catal. 99, 3 (1996).
T. Sato, K. Sugao, Y. Oumi, R. Vetrivel, M. Chatterjee, A. Chatterjee, M. Kubo, A. Stirling, A. Fahmi, and A. Miyamoto, Appl. Surf. Sci., in press.
A. Chatterjee, R. Vetrivel, M. Kubo, and A. Miyamoto, Stud. Surf. Sci. Catal. 105, 2339 (1997).
T. Sato, K. Sugao, Y. Oumi, R. Vetrivel, M. Chatterjee, A. Chatterjee, M. Kubo, A. Stirling, A. Fahmi, and A. Miyamoto, Appl. Surf. Sci, in press.
R. Vetrivel, M. Kubo, H. Himei, E. Maruya, M. Katagiri, E. Broclawik, and A. Miyamoto, Stud. Surf. Sci. Catal 92, 233 (1995).
H. Himei, M. Yamadaya, M. Kubo, R. Vetrivel, E. Broclawik, and A. Miyamoto, J. Phys. Chem. 99, 12461 (1995).
E. Broclawik, H. Himei, M. Yamadaya, M. Kubo, A. Miyamoto, and R. Vetrivel, J. Chem. Phys. 103, 2102 (1995).
M. Yamadaya, H. Himei, T. Kanougi, Y. Oumi, M. Kubo, A. Stirling, R. Vetrivel, E. Broclawik, and A. Miyamoto, Stud. Surf. Sci. Catal. 105, 1485 (1997).
T. Kanougi, K. Furukawa, M. Yamadaya, Y. Oumi, M. Kubo, A. Stirling, A. Fahmi, and A. Miyamoto, Appl. Surf. Sci., in press.
H. Takaba, R. Koshita, K. Mizukami, Y. Oumi, N. Ito, M. Kubo, A., Fahmi, and A. Miyamoto, J. Membrane Sci., in press.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Miyamoto, A., Chatterjee, A., Kubo, M. et al. Integrated computational chemistry study for zeolite microporous materials. Res. Chem. Intermed. 24, 169–181 (1998). https://doi.org/10.1163/156856798X00753
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1163/156856798X00753