-
5
-
-
85034142682
-
-
edited by J. B. Higgins, R. Von Ballmoos, and M. M. J. Treacy Butterworth-Heinemann, London
-
J. Weitkamp, M. Fritz, and S. Ernst, in Extended Abstracts of the Ninth International Zeolite Conference, edited by J. B. Higgins, R. Von Ballmoos, and M. M. J. Treacy (Butterworth-Heinemann, London, 1992), p. A27; R. F. Cracknell, P. Gordon, and K. E. Gubbins, J. Phys. Chem. 97, 494 (1993).
-
(1992)
Extended Abstracts of the Ninth International Zeolite Conference
-
-
Weitkamp, J.1
Fritz, M.2
Ernst, S.3
-
6
-
-
0001750440
-
-
J. Weitkamp, M. Fritz, and S. Ernst, in Extended Abstracts of the Ninth International Zeolite Conference, edited by J. B. Higgins, R. Von Ballmoos, and M. M. J. Treacy (Butterworth-Heinemann, London, 1992), p. A27; R. F. Cracknell, P. Gordon, and K. E. Gubbins, J. Phys. Chem. 97, 494 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 494
-
-
Cracknell, R.F.1
Gordon, P.2
Gubbins, K.E.3
-
9
-
-
0004647537
-
-
F. Wakabayashi, T. Fujino, J. N. Kondo, K. Domen, and C. Hirose, J. Phys. Chem. 99, 14085 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14085
-
-
Wakabayashi, F.1
Fujino, T.2
Kondo, J.N.3
Domen, K.4
Hirose, C.5
-
11
-
-
0004033098
-
-
Wiley, New York
-
R. W. G. Wyckoff, Crystal Structures (Wiley, New York, 1968), Vol. 4; V. Subramanian and K. Seff, J. Phys. Chem. 81, 2249 (1977).
-
(1968)
Crystal Structures
, vol.4
-
-
Wyckoff, R.W.G.1
-
12
-
-
0001297836
-
-
R. W. G. Wyckoff, Crystal Structures (Wiley, New York, 1968), Vol. 4; V. Subramanian and K. Seff, J. Phys. Chem. 81, 2249 (1977).
-
(1977)
J. Phys. Chem.
, vol.81
, pp. 2249
-
-
Subramanian, V.1
Seff, K.2
-
14
-
-
0042831574
-
-
A. G. Bezus, M. Kocirik, and E. A. Vasilyeva, Zeolites 7, 327 (1987); P. Santikary and S. Yashonath, J. Chem. Soc., Faraday Trans. 88, 1063 (1992).
-
(1987)
Zeolites
, vol.7
, pp. 327
-
-
Bezus, A.G.1
Kocirik, M.2
Vasilyeva, E.A.3
-
15
-
-
0000846491
-
-
A. G. Bezus, M. Kocirik, and E. A. Vasilyeva, Zeolites 7, 327 (1987); P. Santikary and S. Yashonath, J. Chem. Soc., Faraday Trans. 88, 1063 (1992).
-
(1992)
J. Chem. Soc., Faraday Trans.
, vol.88
, pp. 1063
-
-
Santikary, P.1
Yashonath, S.2
-
17
-
-
0347467033
-
-
E. Cohen de Lara and T. N. Tan, J. Phys. Chem. 80, 1917 (1976); 80, 1923 (1976).
-
(1976)
J. Phys. Chem.
, vol.80
, pp. 1923
-
-
-
20
-
-
0004716309
-
-
O. Zakharieva-Pencheva, H. Bose, H, Forster, W. Frede, and M. Grodzicki, J. Mol. Struct. 122, 101 (1985); A. Sasse and H. Forster, ibid. 349, 97 (1995).
-
(1985)
J. Mol. Struct.
, vol.122
, pp. 101
-
-
Zakharieva-Pencheva, O.1
Bose, H.2
Forster, H.3
Frede, W.4
Grodzicki, M.5
-
21
-
-
0002572355
-
-
O. Zakharieva-Pencheva, H. Bose, H, Forster, W. Frede, and M. Grodzicki, J. Mol. Struct. 122, 101 (1985); A. Sasse and H. Forster, ibid. 349, 97 (1995).
-
(1995)
J. Mol. Struct.
, vol.349
, pp. 97
-
-
Sasse, A.1
Forster, H.2
-
22
-
-
0000921788
-
-
L. M. Kustov and V. B. Kazansky, J. Chem. Soc., Faraday Trans. 87, 2675 (1991); A. Y. Khodakov, L. M. Kustov, V. B. Kazansky, and C. Williams, ibid. 88, 3251 (1992), 90, 3367 (1994); K. Beck, H. Pfeifer, and B. Staudte, ibid. 89, 3995 (1993); S. Bordiga, E. Garrone, C. Lamberti, A. Zecchina, C. O. Arean, V. B. Kazansky, and L. M. Kustov, ibid. 90, 3367 (1994).
-
(1991)
J. Chem. Soc., Faraday Trans.
, vol.87
, pp. 2675
-
-
Kustov, L.M.1
Kazansky, V.B.2
-
23
-
-
0001038713
-
-
L. M. Kustov and V. B. Kazansky, J. Chem. Soc., Faraday Trans. 87, 2675 (1991); A. Y. Khodakov, L. M. Kustov, V. B. Kazansky, and C. Williams, ibid. 88, 3251 (1992), 90, 3367 (1994); K. Beck, H. Pfeifer, and B. Staudte, ibid. 89, 3995 (1993); S. Bordiga, E. Garrone, C. Lamberti, A. Zecchina, C. O. Arean, V. B. Kazansky, and L. M. Kustov, ibid. 90, 3367 (1994).
-
(1992)
J. Chem. Soc., Faraday Trans.
, vol.88
, pp. 3251
-
-
Khodakov, A.Y.1
Kustov, L.M.2
Kazansky, V.B.3
Williams, C.4
-
24
-
-
0000921788
-
-
L. M. Kustov and V. B. Kazansky, J. Chem. Soc., Faraday Trans. 87, 2675 (1991); A. Y. Khodakov, L. M. Kustov, V. B. Kazansky, and C. Williams, ibid. 88, 3251 (1992), 90, 3367 (1994); K. Beck, H. Pfeifer, and B. Staudte, ibid. 89, 3995 (1993); S. Bordiga, E. Garrone, C. Lamberti, A. Zecchina, C. O. Arean, V. B. Kazansky, and L. M. Kustov, ibid. 90, 3367 (1994).
-
(1994)
J. Chem. Soc., Faraday Trans.
, vol.90
, pp. 3367
-
-
-
25
-
-
37049069623
-
-
L. M. Kustov and V. B. Kazansky, J. Chem. Soc., Faraday Trans. 87, 2675 (1991); A. Y. Khodakov, L. M. Kustov, V. B. Kazansky, and C. Williams, ibid. 88, 3251 (1992), 90, 3367 (1994); K. Beck, H. Pfeifer, and B. Staudte, ibid. 89, 3995 (1993); S. Bordiga, E. Garrone, C. Lamberti, A. Zecchina, C. O. Arean, V. B. Kazansky, and L. M. Kustov, ibid. 90, 3367 (1994).
-
(1993)
J. Chem. Soc., Faraday Trans.
, vol.89
, pp. 3995
-
-
Beck, K.1
Pfeifer, H.2
Staudte, B.3
-
26
-
-
37049088783
-
-
L. M. Kustov and V. B. Kazansky, J. Chem. Soc., Faraday Trans. 87, 2675 (1991); A. Y. Khodakov, L. M. Kustov, V. B. Kazansky, and C. Williams, ibid. 88, 3251 (1992), 90, 3367 (1994); K. Beck, H. Pfeifer, and B. Staudte, ibid. 89, 3995 (1993); S. Bordiga, E. Garrone, C. Lamberti, A. Zecchina, C. O. Arean, V. B. Kazansky, and L. M. Kustov, ibid. 90, 3367 (1994).
-
(1994)
J. Chem. Soc., Faraday Trans.
, vol.90
, pp. 3367
-
-
Bordiga, S.1
Garrone, E.2
Lamberti, C.3
Zecchina, A.4
Arean, C.O.5
Kazansky, V.B.6
Kustov, L.M.7
-
27
-
-
0024053221
-
-
J. M. Shin, K. T. No, and M. S. Jhon, J. Phys. Chem. 92, 4533 (1988); S. H. Lee, G. K. Moon, S. G. Choi and H. S. Kim, ibid. 98, 1561 (1994).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 4533
-
-
Shin, J.M.1
No, K.T.2
Jhon, M.S.3
-
28
-
-
33751157717
-
-
J. M. Shin, K. T. No, and M. S. Jhon, J. Phys. Chem. 92, 4533 (1988); S. H. Lee, G. K. Moon, S. G. Choi and H. S. Kim, ibid. 98, 1561 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 1561
-
-
Lee, S.H.1
Moon, G.K.2
Choi, S.G.3
Kim, H.S.4
-
29
-
-
21044451899
-
-
edited by H. G. Karge and J. Weitkamp Elseveier, Amsterdam
-
H. Forster, W. Frede, and G. Peters, in Zeolites as Catalysts, Sorbents and Detergent Builders, edited by H. G. Karge and J. Weitkamp (Elseveier, Amsterdam, 1989), p. 545.
-
(1989)
Zeolites as Catalysts, Sorbents and Detergent Builders
, pp. 545
-
-
Forster, H.1
Frede, W.2
Peters, G.3
-
30
-
-
0344133108
-
-
K. T. No, J. S. Kim, Y. Y. Huh, W. K. Dim, and M. S. Jhon, J. Phys. Chem. 91, 740 (1987).
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 740
-
-
No, K.T.1
Kim, J.S.2
Huh, Y.Y.3
Dim, W.K.4
Jhon, M.S.5
-
36
-
-
0004067381
-
-
Clarendon, Oxford, Chap. 2
-
G. C. Maitland, M. Rigby, E. B. Smith and W. A. Wakeham, Intermolecular Forces (Clarendon, Oxford, 1981), Chap. 2.
-
(1981)
Intermolecular Forces
-
-
Maitland, G.C.1
Rigby, M.2
Smith, E.B.3
Wakeham, W.A.4
-
37
-
-
0642304222
-
-
edited by D. D. Eley and F. C. Tompkins Pergamon, Oxford, Chap. 2
-
W. A. Steele, in The International Encyclopedia of Physical Chemistry and Chemical Physics, edited by D. D. Eley and F. C. Tompkins (Pergamon, Oxford, 1974), Vol. 3, Chap. 2.
-
(1974)
The International Encyclopedia of Physical Chemistry and Chemical Physics
, vol.3
-
-
Steele, W.A.1
-
41
-
-
30844438869
-
-
M. F. Falcetta, J. L. Pazun, M. J. Dorko, D. Kitchen, and P. E. Siska, J. Phys. Chem. 97, 1011 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1011
-
-
Falcetta, M.F.1
Pazun, J.L.2
Dorko, M.J.3
Kitchen, D.4
Siska, P.E.5
-
42
-
-
85034149511
-
-
Several other studies have also fit quantum chemical interactions to choose atom-atom interaction parameters, e.g., that of Ref. 19
-
Several other studies have also fit quantum chemical interactions to choose atom-atom interaction parameters, e.g., that of Ref. 19.
-
-
-
-
46
-
-
85034139984
-
-
note
-
For comparison, the traditional cutoff for Lennard-Jones potentials is 2.5σ, which would be approximately 7.5 Å, with σ the largest interaction diameter between a host O atom and the guest.
-
-
-
-
47
-
-
0001180573
-
-
A. K. Nowak, C. J. J. den Ouden, S. D. Pickett, B. Smit, A. K. Cheetham, M. F. M. Post, and J. M. Thomas, J. Phys. Chem. 95, 848 (1991).
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 848
-
-
Nowak, A.K.1
Den Ouden, C.J.J.2
Pickett, S.D.3
Smit, B.4
Cheetham, A.K.5
Post, M.F.M.6
Thomas, J.M.7
-
48
-
-
0000489305
-
-
P. Demontis, G. B. Suffritti, E. S. Fois, and S. Quartieri, J. Phys. Chem. 96, 1482 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1482
-
-
Demontis, P.1
Suffritti, G.B.2
Fois, E.S.3
Quartieri, S.4
-
49
-
-
0026103656
-
-
F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991); J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large, Symmetric Eigenvalue Compulations (Birkhauser, Boston, 1985).
-
(1991)
Comput. Phys. Commun.
, vol.63
, pp. 494
-
-
Webster, F.1
Rossky, P.J.2
Friesner, R.A.3
-
50
-
-
0003462314
-
-
Birkhauser, Boston
-
F. Webster, P. J. Rossky, and R. A. Friesner, Comput. Phys. Commun. 63, 494 (1991); J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large, Symmetric Eigenvalue Compulations (Birkhauser, Boston, 1985).
-
(1985)
Lanczos Algorithms for Large, Symmetric Eigenvalue Compulations
-
-
Cullum, J.K.1
Willoughby, R.A.2
-
51
-
-
0000551321
-
-
G. J. Martyna and B. J. Berne, J. Chem. Phys. 90, 3744 (1989); G. J. Martyna, C. Cheng, and M. L. Klein, ibid. 95, 1318 (1991).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 3744
-
-
Martyna, G.J.1
Berne, B.J.2
-
52
-
-
0000223146
-
-
G. J. Martyna and B. J. Berne, J. Chem. Phys. 90, 3744 (1989); G. J. Martyna, C. Cheng, and M. L. Klein, ibid. 95, 1318 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1318
-
-
Martyna, G.J.1
Cheng, C.2
Klein, M.L.3
-
53
-
-
36849109898
-
-
R. F. Curl, Jr., H. P. Hopkins, and K. S. Pitzer, J. Chem. Phys. 48, 4064 (1968).
-
(1968)
J. Chem. Phys.
, vol.48
, pp. 4064
-
-
Curl R.F., Jr.1
Hopkins, H.P.2
Pitzer, K.S.3
-
62
-
-
33947474671
-
-
W. R. Moore and H. R. Ward, J. Am. Chem. Soc. 80, 2909 (1958); J. Phys. Chem. 64, 832 (1960).
-
(1960)
J. Phys. Chem.
, vol.64
, pp. 832
-
-
-
66
-
-
84937199764
-
-
T. B. MacRury and J. R. Sams, Mol. Phys. 19, 337 (1970); 20, 57 (1971).
-
(1971)
Mol. Phys.
, vol.20
, pp. 57
-
-
-
69
-
-
84912205321
-
-
edited by M. van Swaay Butterworths, London
-
M. Mohnke and W. Saffert, in Gas Chromatography, edited by M. van Swaay (Butterworths, London, 1962), p. 216.
-
(1962)
Gas Chromatography
, pp. 216
-
-
Mohnke, M.1
Saffert, W.2
-
72
-
-
0000508609
-
-
M. Caffarel, P. Claverie, C. Mijoule, J. Andzelm, and D. R. Salahub, J. Chem. Phys. 90, 990 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 990
-
-
Caffarel, M.1
Claverie, P.2
Mijoule, C.3
Andzelm, J.4
Salahub, D.R.5
-
73
-
-
0001115739
-
-
D. Marx, S. Sengupta, and P. Nielaba, J. Chem. Phys. 99, 6031 (1993); D. Marx and M. H. Muser, J. Phys.: Condens. Matter 11, R117 (1999).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 6031
-
-
Marx, D.1
Sengupta, S.2
Nielaba, P.3
-
75
-
-
36449004482
-
-
S. C. Althorpe and D. C. Clary, J. Chem. Phys. 101, 3603 (1994); C. Leforestier, L. B. Braly, K. Lui, M. J. Elrod, and R. J. Saykally, ibid. 106, 8527 (1997); H. Chen, S. Liu, and J. C. Light, ibid. 110, 168 (1999).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 3603
-
-
Althorpe, S.C.1
Clary, D.C.2
-
76
-
-
0041431247
-
-
S. C. Althorpe and D. C. Clary, J. Chem. Phys. 101, 3603 (1994); C. Leforestier, L. B. Braly, K. Lui, M. J. Elrod, and R. J. Saykally, ibid. 106, 8527 (1997); H. Chen, S. Liu, and J. C. Light, ibid. 110, 168 (1999).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 8527
-
-
Leforestier, C.1
Braly, L.B.2
Lui, K.3
Elrod, M.J.4
Saykally, R.J.5
-
77
-
-
0003224290
-
-
S. C. Althorpe and D. C. Clary, J. Chem. Phys. 101, 3603 (1994); C. Leforestier, L. B. Braly, K. Lui, M. J. Elrod, and R. J. Saykally, ibid. 106, 8527 (1997); H. Chen, S. Liu, and J. C. Light, ibid. 110, 168 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 168
-
-
Chen, H.1
Liu, S.2
Light, J.C.3
-
78
-
-
0007784403
-
-
P. L. Gant, K. Yang, M. S. Goldstein, M. P. Freeman, and A. I. Weiss, J. Phys. Chem. 74, 1985 (1970).
-
(1970)
J. Phys. Chem.
, vol.74
, pp. 1985
-
-
Gant, P.L.1
Yang, K.2
Goldstein, M.S.3
Freeman, M.P.4
Weiss, A.I.5
-
79
-
-
85034123995
-
-
note
-
3).
-
-
-
-
81
-
-
0014744305
-
-
D. E. Brown, D. D. Eley, and R. Rudham, J. Catal. 16, 292 (1970); 29, 246 (1973).
-
(1970)
J. Catal.
, vol.16
, pp. 292
-
-
Brown, D.E.1
Eley, D.D.2
Rudham, R.3
-
82
-
-
0346836341
-
-
D. E. Brown, D. D. Eley, and R. Rudham, J. Catal. 16, 292 (1970); 29, 246 (1973).
-
(1973)
J. Catal.
, vol.29
, pp. 246
-
-
-
83
-
-
0346205790
-
-
J. M. Jablonski, Pol. J. Chem. 53, 1103 (1979); R. Stockmeyer, Physica B 180, 508 (1992).
-
(1979)
Pol. J. Chem.
, vol.53
, pp. 1103
-
-
Jablonski, J.M.1
-
84
-
-
0348096981
-
-
J. M. Jablonski, Pol. J. Chem. 53, 1103 (1979); R. Stockmeyer, Physica B 180, 508 (1992).
-
(1992)
Physica B
, vol.180
, pp. 508
-
-
Stockmeyer, R.1
-
86
-
-
85034136441
-
-
private communication
-
D. White (private communication).
-
-
-
White, D.1
-
87
-
-
33751155853
-
-
S. M. Auerbach. N. J. Henson, A. K. Cheetham, and H. I. Metiu, J. Phys. Chem. 99, 10600 (1994).
-
(1994)
J. Phys. Chem.
, vol.99
, pp. 10600
-
-
Auerbach, S.M.1
Henson, N.J.2
Cheetham, A.K.3
Metiu, H.I.4
-
89
-
-
0348060522
-
-
J. Sauer, P. Ugliengo, E. Garrone, and V. R. Saunders, Chem. Rev. 94, 2095 (1994).
-
(1994)
Chem. Rev.
, vol.94
, pp. 2095
-
-
Sauer, J.1
Ugliengo, P.2
Garrone, E.3
Saunders, V.R.4
-
92
-
-
0001600659
-
-
J. Eckert, J. M. Nicol, J. Howard, and F. R. Trouw, J. Phys. Chem. 100, 10646 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 10646
-
-
Eckert, J.1
Nicol, J.M.2
Howard, J.3
Trouw, F.R.4
-
93
-
-
0000122010
-
-
L. Koubi, M. Blain, E. Cohen de Lara, and J- M. Leclerq, Chem. Phys. Lett. 217, 544 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.217
, pp. 544
-
-
Koubi, L.1
Blain, M.2
Cohen De Lara, E.3
Leclerq, J.-M.4
-
97
-
-
0031559445
-
-
A. V. Larin, F. Jousse, L. Leherte, and D. P. Vercauteren, Chem. Phys. Lett. 274, 345 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.274
, pp. 345
-
-
Larin, A.V.1
Jousse, F.2
Leherte, L.3
Vercauteren, D.P.4
-
98
-
-
0000715796
-
-
T. Yamazaki, T. Watanuki, S. Ozawa, and Y. Ogino, Mol. Phys. 73, 649 (1991).
-
(1991)
Mol. Phys.
, vol.73
, pp. 649
-
-
Yamazaki, T.1
Watanuki, T.2
Ozawa, S.3
Ogino, Y.4
-
99
-
-
36449004929
-
-
L. Xiao and D. F. Coker, J. Chem. Phys. 102, 1107 (1995); H. S. Mei, L. Xiao, and D. F. Coker, ibid. 105, 3938 (1996).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 1107
-
-
Xiao, L.1
Coker, D.F.2
-
100
-
-
0030575571
-
-
L. Xiao and D. F. Coker, J. Chem. Phys. 102, 1107 (1995); H. S. Mei, L. Xiao, and D. F. Coker, ibid. 105, 3938 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 3938
-
-
Mei, H.S.1
Xiao, L.2
Coker, D.F.3
-
104
-
-
36749108425
-
-
U. Buck, F. Huisken, A. Kohlhase, D. Otten, and J. Schaefer, J. Chem. Phys. 78, 4439 (1983).
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4439
-
-
Buck, U.1
Huisken, F.2
Kohlhase, A.3
Otten, D.4
Schaefer, J.5
|