-
4
-
-
85034296916
-
-
Union Road, Cambridge CB21 EZ, UK
-
Cambridge Crystallographic Data Centre, QUEST3D, Union Road, Cambridge CB21 EZ, UK, 1995.
-
(1995)
QUEST3D
-
-
-
6
-
-
33845560932
-
-
A. T. Hagler, P. Dauber, and S. Lifston, J. Am. Chem. Soc., 101, 5131 (1979).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 5131
-
-
Hagler, A.T.1
Dauber, P.2
Lifston, S.3
-
8
-
-
11744325509
-
-
G. Roelofsen, J. A. Kanters, and P. Brants, Cryst. Struct. Commun., 7, 313 (1978).
-
(1978)
Cryst. Struct. Commun.
, vol.7
, pp. 313
-
-
Roelofsen, G.1
Kanters, J.A.2
Brants, P.3
-
9
-
-
2342489248
-
-
J. A. Kanters, G. Roelofsen, and T. Feenstra, Acta Cryst., B32, 3331 (1976).
-
(1976)
Acta Cryst.
, vol.B32
, pp. 3331
-
-
Kanters, J.A.1
Roelofsen, G.2
Feenstra, T.3
-
13
-
-
33646076239
-
-
B. P. van Eijck, W. T. M. Mooij, and J. Kroon, Acta Cryst., B51, 99 (1995).
-
(1995)
Acta Cryst.
, vol.B51
, pp. 99
-
-
Van Eijck, B.P.1
Mooij, W.T.M.2
Kroon, J.3
-
14
-
-
0027528018
-
-
R. A. Catlow, J. M. Thomas, C. M. Freeman, P. A. Wright, and R. G. Bell, Proc. R. Soc. Lond., A442, 85 (1993).
-
(1993)
Proc. R. Soc. Lond.
, vol.A442
, pp. 85
-
-
Catlow, R.A.1
Thomas, J.M.2
Freeman, C.M.3
Wright, P.A.4
Bell, R.G.5
-
15
-
-
0001281257
-
-
Y.-L. Change, M.-A. West, F. W. Fowler, and J. W. Lauher, J. Am. Chem. Soc., 115, 5991 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 5991
-
-
Change, Y.-L.1
West, M.-A.2
Fowler, F.W.3
Lauher, J.W.4
-
18
-
-
84912123059
-
-
J. R. Holden, Z. Du, and H. L. Ammon, J. Comput. Chem., 14, 422 (1993).
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 422
-
-
Holden, J.R.1
Du, Z.2
Ammon, H.L.3
-
21
-
-
0000887558
-
-
T. Shoda, K. Yamahara, K. Okazaki, and D. E. Williams, J. Mol. Struct., 313, 321 (1994).
-
(1994)
J. Mol. Struct.
, vol.313
, pp. 321
-
-
Shoda, T.1
Yamahara, K.2
Okazaki, K.3
Williams, D.E.4
-
23
-
-
0000293555
-
-
J. Maddox, Nature, 335, 201 (1988).
-
(1988)
Nature
, vol.335
, pp. 201
-
-
Maddox, J.1
-
27
-
-
0040737280
-
-
16 New England Executive Park, Burlington, MA 01803
-
Biosym/Molecular Simulations, Inc., Cerius 2, Release 2.0, 16 New England Executive Park, Burlington, MA 01803, 1995.
-
(1995)
Cerius 2, Release 2.0
-
-
-
29
-
-
34249763247
-
-
H. R. Karfunkel, F. J. J. Leusen, and R. J. Gdanitz, J. Comp.-Aided Mat. Design, 1, 177 (1993).
-
(1993)
J. Comp.-Aided Mat. Design
, vol.1
, pp. 177
-
-
Karfunkel, H.R.1
Leusen, F.J.J.2
Gdanitz, R.J.3
-
30
-
-
0000780079
-
-
A. M. Chaka, R. Zaniewski, W. Youngs, C. Tessier, and G. Klopman, Acta Cryst., B52, 165 (1996).
-
(1996)
Acta Cryst.
, vol.B52
, pp. 165
-
-
Chaka, A.M.1
Zaniewski, R.2
Youngs, W.3
Tessier, C.4
Klopman, G.5
-
31
-
-
33947448597
-
-
W. Tan, K. A. Krieger, and J. G. Miller, J. Am. Chem. Soc., 74, 6181 (1952).
-
(1952)
J. Am. Chem. Soc.
, vol.74
, pp. 6181
-
-
Tan, W.1
Krieger, K.A.2
Miller, J.G.3
-
34
-
-
0010635150
-
-
R. J. Jakobsen, Y. Mikawa, and J. W. Brasch, Spectrochim. Acta, 23A, 2199 (1967).
-
(1967)
Spectrochim. Acta
, vol.23 A
, pp. 2199
-
-
Jakobsen, R.J.1
Mikawa, Y.2
Brasch, J.W.3
-
37
-
-
5744249209
-
-
N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys., 21, 1087 (1953).
-
(1953)
J. Chem. Phys.
, vol.21
, pp. 1087
-
-
Metropolis, N.1
Rosenbluth, A.W.2
Rosenbluth, M.N.3
Teller, A.H.4
Teller, E.5
-
38
-
-
9144240095
-
-
S. L. Mayo, B. D. Olafson, and W. A. Goddard III, J. Phys. Chem., 94, 8897 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8897
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard III, W.A.3
-
39
-
-
84887525551
-
-
Guassian Inc., Pittsburgh, PA
-
M. J. Frisch et al., Gaussian 92/DFT, Revision G.I, Guassian Inc., Pittsburgh, PA, 1993.
-
(1993)
Gaussian 92/DFT, Revision G.I
-
-
Frisch, M.J.1
-
44
-
-
33748502022
-
-
J. Bernstein, R. E. Davis, L. Shimoni, and N.-L. Chang, Angew. Chem. Int. Ed. Engl., 34, 1555 (1995).
-
(1995)
Angew. Chem. Int. Ed. Engl.
, vol.34
, pp. 1555
-
-
Bernstein, J.1
Davis, R.E.2
Shimoni, L.3
Chang, N.-L.4
-
45
-
-
0002450903
-
-
R. A. Young, Ed., Oxford University Press, Oxford
-
R. A. Young, In, The Rietveld Method, R. A. Young, Ed., Oxford University Press, Oxford, 1993, p. 1.
-
(1993)
The Rietveld Method
, pp. 1
-
-
Young, R.A.1
-
46
-
-
85034293497
-
-
note
-
45 for a review of popular Rietveld refinement programs.
-
-
-
-
47
-
-
0000858469
-
-
P.-E. Werner, L. Erikkson, and M. Westdahl, J. Appl. Cryst., 18, 367 (1985).
-
(1985)
J. Appl. Cryst.
, vol.18
, pp. 367
-
-
Werner, P.-E.1
Erikkson, L.2
Westdahl, M.3
-
48
-
-
0002560432
-
-
R. A. Young, Ed., Oxford University Press, Oxford
-
A. K. Cheetham, In The Rietveld Method, R. A. Young, Ed., Oxford University Press, Oxford, 1993, p. 276.
-
(1993)
The Rietveld Method
, pp. 276
-
-
Cheetham, A.K.1
-
49
-
-
2842521333
-
-
M. Tremayne, B. M. Kariuki, and K. D. M. Harris, J. Appl. Cryst., 29, 211 (1996).
-
(1996)
J. Appl. Cryst.
, vol.29
, pp. 211
-
-
Tremayne, M.1
Kariuki, B.M.2
Harris, K.D.M.3
-
50
-
-
0000584276
-
-
R. B. Hammond, K. J. Roberts, R. Docherty, M. Edmondson, and R. Gairns, J. Chem. Soc. Perkin Trans., 2, 7, 1527 (1996).
-
(1996)
J. Chem. Soc. Perkin Trans., 2
, vol.7
, pp. 1527
-
-
Hammond, R.B.1
Roberts, K.J.2
Docherty, R.3
Edmondson, M.4
Gairns, R.5
-
51
-
-
0000858626
-
-
H. R. Karfunkel, Z. J. Wu, A. Burkard, G. Rihs, D. Sinnreich, H. M. Buerger, and J. Stanek, Acta Cryst., B52, 555 (1996).
-
(1996)
Acta Cryst.
, vol.B52
, pp. 555
-
-
Karfunkel, H.R.1
Wu, Z.J.2
Burkard, A.3
Rihs, G.4
Sinnreich, D.5
Buerger, H.M.6
Stanek, J.7
-
52
-
-
33847804793
-
-
F. A. Monamy, L. M. Carruthers, R. F. Mcguire, and H. A. Scheraga, J. Phys. Chem., 78, 1595 (1974).
-
(1974)
J. Phys. Chem.
, vol.78
, pp. 1595
-
-
Monamy, F.A.1
Carruthers, L.M.2
Mcguire, R.F.3
Scheraga, H.A.4
|