-
1
-
-
34347334645
-
A new 1D hybridfluoroaluminate templated by an original tetramine
-
Adil, K., Le Bail, A., Dujardin, G. & Maisonneuve, V. (2007) A new 1D hybridfluoroaluminate templated by an original tetramine. Polyhedron, 26, 2493-2497.
-
(2007)
Polyhedron
, vol.26
, pp. 2493-2497
-
-
Adil, K.1
Le Bail, A.2
Dujardin, G.3
Maisonneuve, V.4
-
2
-
-
85114213314
-
Extra: a program for extracting structure-factor amplitudes from powder diffraction data
-
Altomare, A., Burla, M. C., Cascarano, G., et al. (1995) Extra: a program for extracting structure-factor amplitudes from powder diffraction data. Journal ofApplied Crystallography, 28, 842-846.
-
(1995)
Journal ofApplied Crystallography
, vol.28
, pp. 842-846
-
-
Altomare, A.1
Burla, M.C.2
Cascarano, G.3
-
3
-
-
10444235148
-
Space-group determination from powder diffraction data: a probabilistic approach
-
Altomare, A., Caliandro, R., Camalli, M., et al. (2004a) Space-group determination from powder diffraction data: a probabilistic approach. Journal ofApplied Crystallography, 37, 957-966.
-
(2004)
Journal ofApplied Crystallography
, vol.37
, pp. 957-966
-
-
Altomare, A.1
Caliandro, R.2
Camalli, M.3
-
4
-
-
10444231263
-
Automatic structure determination from powder data with Expo2004
-
Altomare, A., Caliandro, R., Camalli, M., et al. (2004b) Automatic structure determination from powder data with Expo2004. Journal ofApplied Crystallography, 37, 1025-1028.
-
(2004)
Journal ofApplied Crystallography
, vol.37
, pp. 1025-1028
-
-
Altomare, A.1
Caliandro, R.2
Camalli, M.3
-
5
-
-
11944270654
-
Towards Expo2005
-
Altomare, A., Caliandro, R., Camalli, M., et al. (2004c) Towards Expo2005. Zeitschrift Fuer Kristallographie, 219, 833-837.
-
(2004)
Zeitschrift Fuer Kristallographie
, vol.219
, pp. 833-837
-
-
Altomare, A.1
Caliandro, R.2
Camalli, M.3
-
6
-
-
33645146063
-
The combined use of Patterson and Monte Carlo methods for the decomposition of a powder diffraction pattern
-
Altomare, A., Cuocci, C., Giacovazzo, C., Moliterni, A. G. G. & Rizzi, R. (2006a) The combined use of Patterson and Monte Carlo methods for the decomposition of a powder diffraction pattern. Journal ofApplied Crystallography, 39, 145-150.
-
(2006)
Journal ofApplied Crystallography
, vol.39
, pp. 145-150
-
-
Altomare, A.1
Cuocci, C.2
Giacovazzo, C.3
Moliterni, A.G.G.4
Rizzi, R.5
-
7
-
-
33746454309
-
Powder diffraction: the new automatic least-squares Fourier recycling procedure in Expo2005
-
Altomare, A., Cuocci, C., Giacovazzo, C., Moliterni, A. G. G. & Rizzi, R. (2006b) Powder diffraction: the new automatic least-squares Fourier recycling procedure in Expo2005. Journal of Applied Crystallography, 39, 558-562.
-
(2006)
Journal of Applied Crystallography
, vol.39
, pp. 558-562
-
-
Altomare, A.1
Cuocci, C.2
Giacovazzo, C.3
Moliterni, A.G.G.4
Rizzi, R.5
-
8
-
-
0034477993
-
New techniques for indexing: N-Treor in Expo
-
Altomare, A., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Rizzi, R. & Werner, P.-E. (2000) New techniques for indexing: N-Treor in Expo. Journal ofApplied Crystallography, 33, 1180-1186.
-
(2000)
Journal ofApplied Crystallography
, vol.33
, pp. 1180-1186
-
-
Altomare, A.1
Giacovazzo, C.2
Guagliardi, A.3
Moliterni, A.G.G.4
Rizzi, R.5
Werner, P.-E.6
-
9
-
-
0035216972
-
A random procedure for the decomposition of a powder pattern in Expo
-
Altomare, A., Giacovazzo, C., Moliterni, A. G. G. & Rizzi, R. (2001) A random procedure for the decomposition of a powder pattern in Expo. Journal ofApplied Crystallography, 34, 704-709.
-
(2001)
Journal ofApplied Crystallography
, vol.34
, pp. 704-709
-
-
Altomare, A.1
Giacovazzo, C.2
Moliterni, A.G.G.3
Rizzi, R.4
-
10
-
-
0000564387
-
A general Monte Carlo approach to structure solution from powder-diffraction data: application to poly(ethylene oxide)3LiN(SO2CF3)2
-
Andreev, Y. G., Lightfoot, P. & Bruce, P. G. (1997) A general Monte Carlo approach to structure solution from powder-diffraction data: application to poly(ethylene oxide)3LiN(SO2CF3)2. Journal of Applied Crystallography, 30, 294-305.
-
(1997)
Journal of Applied Crystallography
, vol.30
, pp. 294-305
-
-
Andreev, Y.G.1
Lightfoot, P.2
Bruce, P.G.3
-
11
-
-
11944264984
-
Exploiting texture to estimate the relative intensities of overlapping reflections
-
Baerlocher, C., Mccusker, L. B., Prokic, S. & Wessels, T. (2004) Exploiting texture to estimate the relative intensities of overlapping reflections. Zeitschrift Fuer Kristallographie, 219, 803-812.
-
(2004)
Zeitschrift Fuer Kristallographie
, vol.219
, pp. 803-812
-
-
Baerlocher, C.1
Mccusker, L.B.2
Prokic, S.3
Wessels, T.4
-
12
-
-
0001739658
-
Structure of ITQ-4, a new pure silica polymorph containing large pores and a large void volume
-
Barrett, P. A., Camblor, M. A., Corma, A., Jones, R. H. & Villaescusa, L. A. (1997) Structure of ITQ-4, a new pure silica polymorph containing large pores and a large void volume. Chemistry ofMaterials, 9, 1713-1715.
-
(1997)
Chemistry ofMaterials
, vol.9
, pp. 1713-1715
-
-
Barrett, P.A.1
Camblor, M.A.2
Corma, A.3
Jones, R.H.4
Villaescusa, L.A.5
-
15
-
-
84890698032
-
Structure of Na2Ca(HPO4)2 determined ab initio from conventional powder diffraction data
-
Ben Chaabane, T., Smiri-Dogguy, L., Laligant, Y. & Le Bail, A. (1997) Structure of Na2Ca(HPO4)2 determined ab initio from conventional powder diffraction data. European Journal of Solid State and Inorganic Chemistry, 34, 937-946.
-
(1997)
European Journal of Solid State and Inorganic Chemistry
, vol.34
, pp. 937-946
-
-
Ben Chaabane, T.1
Smiri-Dogguy, L.2
Laligant, Y.3
Le Bail, A.4
-
16
-
-
11844266558
-
Renewed interest in powder diffraction data indexing
-
Bergmann, J., Le Bail, A., Shirley, R. & Zlokazov, V. (2004) Renewed interest in powder diffraction data indexing. Zeitschrift Fuer Kristallographie, 219, 783-790.
-
(2004)
Zeitschrift Fuer Kristallographie
, vol.219
, pp. 783-790
-
-
Bergmann, J.1
Le Bail, A.2
Shirley, R.3
Zlokazov, V.4
-
17
-
-
6344241177
-
Powder pattern indexing with the dichotomy method
-
Boultif, A. & Louër, D. (2004) Powder pattern indexing with the dichotomy method. Journal ofApplied Crystallography, 37, 724-731.
-
(2004)
Journal ofApplied Crystallography
, vol.37
, pp. 724-731
-
-
Boultif, A.1
Louër, D.2
-
18
-
-
0036215926
-
The application of structure envelopes in structure determination from powder diffraction data
-
Brenner, S., Mccusker, L. B. & Baerlocher, C. (2002) The application of structure envelopes in structure determination from powder diffraction data. Journal of Applied Crystallography, 35, 243-252.
-
(2002)
Journal of Applied Crystallography
, vol.35
, pp. 243-252
-
-
Brenner, S.1
Mccusker, L.B.2
Baerlocher, C.3
-
19
-
-
23744439569
-
Organa. A program package for structure determination from powder diffraction data by direct-space methods
-
Brodski, V., Peschar, R. & Schenk, H. (2005) Organa. A program package for structure determination from powder diffraction data by direct-space methods. Journal of Applied Crystallography, 38, 688-693.
-
(2005)
Journal of Applied Crystallography
, vol.38
, pp. 688-693
-
-
Brodski, V.1
Peschar, R.2
Schenk, H.3
-
20
-
-
0038025754
-
Solving larger molecular crystal structures from powder diffraction data by exploiting anisotropic thermal expansion
-
Brunelli, M., Wright, J. P., Vaughan, G. B. M., Mora, A. J. & Fitch, A. N. (2003) Solving larger molecular crystal structures from powder diffraction data by exploiting anisotropic thermal expansion. Angewandte Chemie, International Edition, 42, 2029-2032.
-
(2003)
Angewandte Chemie, International Edition
, vol.42
, pp. 2029-2032
-
-
Brunelli, M.1
Wright, J.P.2
Vaughan, G.B.M.3
Mora, A.J.4
Fitch, A.N.5
-
21
-
-
0001378232
-
The application of resonant scattering techniques to ab initio structure solution from powder data using SRSO4 as a test case
-
Burger, K., Cox, D., Papoular, R. & Prandl, W. (1998) The application of resonant scattering techniques to ab initio structure solution from powder data using SRSO4 as a test case. Journal of Applied Crystallography, 31, 789-797.
-
(1998)
Journal of Applied Crystallography
, vol.31
, pp. 789-797
-
-
Burger, K.1
Cox, D.2
Papoular, R.3
Prandl, W.4
-
22
-
-
16844363448
-
SIR2004: an improved tool for crystal structure determination and refinement
-
Burla, M. C., Caliandro, R., Camalli, M., et al. (2005) SIR2004: an improved tool for crystal structure determination and refinement. Journal ofApplied Crystallography, 38, 381-388.
-
(2005)
Journal ofApplied Crystallography
, vol.38
, pp. 381-388
-
-
Burla, M.C.1
Caliandro, R.2
Camalli, M.3
-
23
-
-
49749161407
-
Choice of collimators for a crystal spectrometer for neutron diffraction
-
Caglioti, G., Paoletti, A. & Ricci, F. P. (1958) Choice of collimators for a crystal spectrometer for neutron diffraction. Nuclear Instruments, 3, 223-228.
-
(1958)
Nuclear Instruments
, vol.3
, pp. 223-228
-
-
Caglioti, G.1
Paoletti, A.2
Ricci, F.P.3
-
24
-
-
0026853606
-
SIRPOW.91 - a direct methods package optimized for powder data
-
Cascarano, G., Favia, L. & Giacovazzo, C. (1992) SIRPOW.91 - a direct methods package optimized for powder data. Journal ofApplied Crystallography, 25, 310-317.
-
(1992)
Journal ofApplied Crystallography
, vol.25
, pp. 310-317
-
-
Cascarano, G.1
Favia, L.2
Giacovazzo, C.3
-
25
-
-
84890635702
-
-
CCP14
-
CCP14: http://www.ccp14.ac.uk/solution/lebail.
-
-
-
-
26
-
-
84890660011
-
-
Cerius2, Version 4.2. Cambridge, UK, Molecular Simulations Inc
-
Cerius2 (2000) Version 4.2. Cambridge, UK, Molecular Simulations Inc.
-
(2000)
-
-
-
27
-
-
0034319961
-
Tetracycline hydrochloride: a synchrotron microcrystal study
-
Clegg, W. & Teat, S. J. (2000) Tetracycline hydrochloride: a synchrotron microcrystal study. Acta Crystallographica, C56, 1343-1345.
-
(2000)
Acta Crystallographica
, vol.C56
, pp. 1343-1345
-
-
Clegg, W.1
Teat, S.J.2
-
28
-
-
0034493858
-
Whole-profile structure solution from powder diffraction data using simulated annealing
-
Coelho, A. A. (2000) Whole-profile structure solution from powder diffraction data using simulated annealing. Journal ofApplied Crystallography, 33, 899-908.
-
(2000)
Journal ofApplied Crystallography
, vol.33
, pp. 899-908
-
-
Coelho, A.A.1
-
30
-
-
0001250459
-
The probabilistic determination of intensities of completely overlapping reflections in powder diffraction patterns
-
David, W. I. F. (1987) The probabilistic determination of intensities of completely overlapping reflections in powder diffraction patterns. Journal ofApplied Crystallography, 20, 316-319.
-
(1987)
Journal ofApplied Crystallography
, vol.20
, pp. 316-319
-
-
David, W.I.F.1
-
31
-
-
84921552589
-
-
Oxford, Oxford University Press
-
David, W. I. F., Shankland, K., Mccusker, L. B. & Baerlocher, C. (2002) Structure Determination from Powder Diffraction Data. Oxford, Oxford University Press.
-
(2002)
Structure Determination from Powder Diffraction Data
-
-
David, W.I.F.1
Shankland, K.2
Mccusker, L.B.3
Baerlocher, C.4
-
32
-
-
21844460227
-
Routine determination of molecular crystal structures from powder diffraction data
-
David, W. I. F., Shankland, K. & Shankland, N. (1998) Routine determination of molecular crystal structures from powder diffraction data. Chemical Communications, 931-932.
-
(1998)
Chemical Communications
, pp. 931-932
-
-
David, W.I.F.1
Shankland, K.2
Shankland, N.3
-
33
-
-
33751215866
-
Dash. A program for crystal structure determination from powder diffraction data
-
David, W. I. F., Shankland, K., Van De Streek, J., Pidcock, E., Motherwell, W. D. S. & Cole, J. C. (2006) Dash. A program for crystal structure determination from powder diffraction data. Journal ofApplied Crystallography, 39, 910-915.
-
(2006)
Journal ofApplied Crystallography
, vol.39
, pp. 910-915
-
-
David, W.I.F.1
Shankland, K.2
Van De Streek, J.3
Pidcock, E.4
Motherwell, W.D.S.5
Cole, J.C.6
-
34
-
-
30344486863
-
A third blind test of crystal structure prediction
-
Day, G. M., Motherwell, W. D. S., Ammon, H. L., et al. (2005) A third blind test of crystal structure prediction. Acta Crystallographica, B61, 511-527.
-
(2005)
Acta Crystallographica
, vol.B61
, pp. 511-527
-
-
Day, G.M.1
Motherwell, W.D.S.2
Ammon, H.L.3
-
35
-
-
84945112463
-
On the application of phase relations to complex structures. V. Finding the solution
-
Declerq, J. P., Germain, G., Main, P. & Woolfson, M. M. (1973) On the application of phase relations to complex structures. V. Finding the solution. Acta Crystallographica, 29, 231-234.
-
(1973)
Acta Crystallographica
, vol.29
, pp. 231-234
-
-
Declerq, J.P.1
Germain, G.2
Main, P.3
Woolfson, M.M.4
-
36
-
-
35348907039
-
Determination of 4-connected framework crystal structures by simulated annealing
-
Deem, M. W. & Newsam, J. M. (1989) Determination of 4-connected framework crystal structures by simulated annealing. Nature, 342, 260-262.
-
(1989)
Nature
, vol.342
, pp. 260-262
-
-
Deem, M.W.1
Newsam, J.M.2
-
37
-
-
11944273013
-
Framework crystal structure solution by simulated annealing: test application to known zeolite structures
-
Deem, M. W. & Newsam, J. M. (1992) Framework crystal structure solution by simulated annealing: test application to known zeolite structures. Journal of the American Chemical Society, 114, 7189-7198.
-
(1992)
Journal of the American Chemical Society
, vol.114
, pp. 7189-7198
-
-
Deem, M.W.1
Newsam, J.M.2
-
38
-
-
0000355391
-
A simplified criterion for the reliability of a powder pattern indexing
-
de Wolf, P. M. (1968) A simplified criterion for the reliability of a powder pattern indexing. Journal of Applied Crystallography, 1, 108-113.
-
(1968)
Journal of Applied Crystallography
, vol.1
, pp. 108-113
-
-
de Wolf, P.M.1
-
39
-
-
0000267139
-
X-ray powder diffraction structure of triclinic C60Br24(Br2)2
-
Dinnebier, R. E., Stephens, P., Carter, J. K., et al. (1995) X-ray powder diffraction structure of triclinic C60Br24(Br2)2. Journal ofApplied Crystallography, 28, 327-334.
-
(1995)
Journal ofApplied Crystallography
, vol.28
, pp. 327-334
-
-
Dinnebier, R.E.1
Stephens, P.2
Carter, J.K.3
-
40
-
-
0348236443
-
PowderX: Windows-95-based program for powder X-ray diffraction data processing
-
Dong, C. (1999) PowderX: Windows-95-based program for powder X-ray diffraction data processing. Journal ofApplied Crystallography, 32, 838.
-
(1999)
Journal ofApplied Crystallography
, vol.32
, pp. 838
-
-
Dong, C.1
-
41
-
-
0037149975
-
Structure solution of a novel aluminium methylphosphonate using a new simulated annealing program and powder X-ray diffraction data
-
Edgar, M., Carter Vinton, J., Tunstall David, P., et al. (2002) Structure solution of a novel aluminium methylphosphonate using a new simulated annealing program and powder X-ray diffraction data. Chemical Communications, 808-809.
-
(2002)
Chemical Communications
, pp. 808-809
-
-
Edgar, M.1
Carter Vinton, J.2
Tunstall David, P.3
-
42
-
-
0000808310
-
Powdersolve - a com-plete package for crystal structure solution from powder diffraction patterns
-
Engel, G. E., Wilke, S., Konig, O., Harris, K. D. M. & Leusen, F. J. J. (1999) Powdersolve - a com-plete package for crystal structure solution from powder diffraction patterns. Journal of Applied Crystallography, 32, 1169-1179.
-
(1999)
Journal of Applied Crystallography
, vol.32
, pp. 1169-1179
-
-
Engel, G.E.1
Wilke, S.2
Konig, O.3
Harris, K.D.M.4
Leusen, F.J.J.5
-
43
-
-
84892254610
-
Patterson methods in powder diffraction: maximum entropy and symmetry minimum function techniques
-
David, W. I. F., Shankland, K., Mccusker, L. B. & Baerlocher, C. (Eds), Oxford, Oxford Science Publications
-
Estermann, M. A. & David, W. I. F. (2002) Patterson methods in powder diffraction: maximum entropy and symmetry minimum function techniques. In David, W. I. F., Shankland, K., Mccusker, L. B. & Baerlocher, C. (Eds) Structure Determination from Powder Diffraction Data. Oxford, Oxford Science Publications.
-
(2002)
Structure Determination from Powder Diffraction Data
-
-
Estermann, M.A.1
David, W.I.F.2
-
44
-
-
0026910159
-
Ab initio structure determination from severely overlapped powder diffraction data
-
Estermann, M. A., Mccusker, L. B. & Baerlocher, C. (1992) Ab initio structure determination from severely overlapped powder diffraction data. Journal ofApplied Crystallography, 25, 539-543.
-
(1992)
Journal ofApplied Crystallography
, vol.25
, pp. 539-543
-
-
Estermann, M.A.1
Mccusker, L.B.2
Baerlocher, C.3
-
45
-
-
0042656263
-
A biased Monte Carlo scheme for zeolite structure solution
-
Falcioni, M. & Deem, M. W. (1999) A biased Monte Carlo scheme for zeolite structure solution. Journal of Chemical Physics, 110, 1754-1766.
-
(1999)
Journal of Chemical Physics
, vol.110
, pp. 1754-1766
-
-
Falcioni, M.1
Deem, M.W.2
-
46
-
-
0036895497
-
Fox, 'free objects for crystallography': a modular approach to ab initio structure determination from powder diffraction
-
Favre-Nicolin, V. & Cerny, R. (2002) Fox, 'free objects for crystallography': a modular approach to ab initio structure determination from powder diffraction. Journal ofApplied Crystallography, 35, 734-743.
-
(2002)
Journal ofApplied Crystallography
, vol.35
, pp. 734-743
-
-
Favre-Nicolin, V.1
Cerny, R.2
-
47
-
-
25444507730
-
A chromium terephthalate-based solid with unusually large pore volumes and surface area
-
Férey, G., Mellot-Draznieks, C., Serre, C., et al. (2005) A chromium terephthalate-based solid with unusually large pore volumes and surface area. Science, 309, 2040-2042.
-
(2005)
Science
, vol.309
, pp. 2040-2042
-
-
Férey, G.1
Mellot-Draznieks, C.2
Serre, C.3
-
48
-
-
11144334587
-
A hybrid solid with giant pores prepared by a combination of targeted chemistry, simulation, and powder diffraction
-
Férey, G., Serre, C., Mellot-Draznieks, C., et al. (2004) A hybrid solid with giant pores prepared by a combination of targeted chemistry, simulation, and powder diffraction. Angewandte Chemie, International Edition, 43, 6296-6301.
-
(2004)
Angewandte Chemie, International Edition
, vol.43
, pp. 6296-6301
-
-
Férey, G.1
Serre, C.2
Mellot-Draznieks, C.3
-
49
-
-
0000823246
-
Modelling the crystal structure of the 2-hydronitronylnitroxide radical (HNN): observed and computer-generated polymorphs
-
Filippini, G., Gavezzotti, A. & Novoa, J. J. (1999) Modelling the crystal structure of the 2-hydronitronylnitroxide radical (HNN): observed and computer-generated polymorphs. Acta Crystallographica, B55, 543-553.
-
(1999)
Acta Crystallographica
, vol.B55
, pp. 543-553
-
-
Filippini, G.1
Gavezzotti, A.2
Novoa, J.J.3
-
50
-
-
0022104123
-
STRUPLO84, a Fortran plot program for crystal structure illustrations in polyhedral representation
-
Fischer, R. X. (1985) STRUPLO84, a Fortran plot program for crystal structure illustrations in polyhedral representation. Journal ofApplied Crystallography, 18, 258-262.
-
(1985)
Journal ofApplied Crystallography
, vol.18
, pp. 258-262
-
-
Fischer, R.X.1
-
51
-
-
84890717138
-
-
A database of hypothetical zeolite structures
-
Foster, M. D. & Treacy, M. M. J. (2003) A database of hypothetical zeolite structures. http://www.hypotheticalzeolites.net.
-
(2003)
-
-
Foster, M.D.1
Treacy, M.M.J.2
-
53
-
-
33748616559
-
GULP: a computer program for the symmetry-adapted simulation of solids
-
Gale, J. D. (1997) GULP: a computer program for the symmetry-adapted simulation of solids. Journal of the Chemical Society, Faraday Transactions, 93, 629-637.
-
(1997)
Journal of the Chemical Society, Faraday Transactions
, vol.93
, pp. 629-637
-
-
Gale, J.D.1
-
55
-
-
0001463716
-
Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data
-
Gies, H. & Ruis, J. (1995) Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data. Zeitschrift Fuer Kristallographie, 210, 475-480.
-
(1995)
Zeitschrift Fuer Kristallographie
, vol.210
, pp. 475-480
-
-
Gies, H.1
Ruis, J.2
-
56
-
-
33750593153
-
Complex zeolite structure solved by combining powder diffraction and electron microscopy
-
Gramm, F., Baerlocher, C., Mccusker, L. B., et al. (2006) Complex zeolite structure solved by combining powder diffraction and electron microscopy. Nature, 444, 79-81.
-
(2006)
Nature
, vol.444
, pp. 79-81
-
-
Gramm, F.1
Baerlocher, C.2
Mccusker, L.B.3
-
57
-
-
0001585525
-
Powder diffraction data and crystal chemical information combined in an automated structure determination procedure for zeolites
-
Grosse-Kunstleve, R. W., Mccusker, L. B. & Baerlocher, C. (1997) Powder diffraction data and crystal chemical information combined in an automated structure determination procedure for zeolites. Journal ofApplied Crystallography, 30, 985-995.
-
(1997)
Journal ofApplied Crystallography
, vol.30
, pp. 985-995
-
-
Grosse-Kunstleve, R.W.1
Mccusker, L.B.2
Baerlocher, C.3
-
58
-
-
32344449517
-
Characterizing challenging microcrystalline solids with solid-state NMR shift tensor and synchrotron X-raypowder diffraction data: structural analysis of ambuic acid
-
Harper, J. K., Grant, D. M., Zhang, Y., Lee, P. L. & Von Dreele, R. (2006) Characterizing challenging microcrystalline solids with solid-state NMR shift tensor and synchrotron X-raypowder diffraction data: structural analysis of ambuic acid. Journal of the American Chemical Society, 128, 1547-1552.
-
(2006)
Journal of the American Chemical Society
, vol.128
, pp. 1547-1552
-
-
Harper, J.K.1
Grant, D.M.2
Zhang, Y.3
Lee, P.L.4
Von Dreele, R.5
-
59
-
-
0000066149
-
The genetic algorithm: foundations and applications in structure solution from powder diffraction data
-
Harris, K. D. M., Johnston, R. L. & Kariuki, B. M. (1998) The genetic algorithm: foundations and applications in structure solution from powder diffraction data. Acta Crystallographica, A54, 632-645.
-
(1998)
Acta Crystallographica
, vol.A54
, pp. 632-645
-
-
Harris, K.D.M.1
Johnston, R.L.2
Kariuki, B.M.3
-
60
-
-
0001295640
-
Crystal structure determination from powder diffraction data by Monte Carlo methods
-
Harris, K. D. M., Tremayne, M., Lightfoot, P. & Bruce, P. G. (1994) Crystal structure determination from powder diffraction data by Monte Carlo methods. Journal of the American Chemical Society, 116, 3543-3547.
-
(1994)
Journal of the American Chemical Society
, vol.116
, pp. 3543-3547
-
-
Harris, K.D.M.1
Tremayne, M.2
Lightfoot, P.3
Bruce, P.G.4
-
61
-
-
29144466462
-
New similarity index for crystal structure determination from X-ray powder diagrams
-
Hofmann, D. W. M. & Kuleshova, L. (2005) New similarity index for crystal structure determination from X-ray powder diagrams. Journal ofApplied Crystallography, 38, 861-866.
-
(2005)
Journal ofApplied Crystallography
, vol.38
, pp. 861-866
-
-
Hofmann, D.W.M.1
Kuleshova, L.2
-
63
-
-
0026854096
-
On the determination of accurate intensities from powder diffraction data. II. Estimation of intensities of overlapping reflections
-
Jansen, J., Peschar, R. & Schenk, H. (1992) On the determination of accurate intensities from powder diffraction data. II. Estimation of intensities of overlapping reflections. Journal ofApplied Crystallography, 25, 237-243.
-
(1992)
Journal ofApplied Crystallography
, vol.25
, pp. 237-243
-
-
Jansen, J.1
Peschar, R.2
Schenk, H.3
-
64
-
-
0002459364
-
Application of direct methods to powder data. A weighting scheme for intensities in the optimal symbolic addition program SIMPEL88
-
Jansen, J., Peschar, R. & Schenk, H. (1993) Application of direct methods to powder data. A weighting scheme for intensities in the optimal symbolic addition program SIMPEL88. Zeitschrift Fuer Kristallographie, 206, 33-43.
-
(1993)
Zeitschrift Fuer Kristallographie
, vol.206
, pp. 33-43
-
-
Jansen, J.1
Peschar, R.2
Schenk, H.3
-
65
-
-
0001793751
-
Structures of 2, 6-disubstituted naphthalenes
-
Kaduk, J. A. & Golab, J. T. (1999) Structures of 2, 6-disubstituted naphthalenes. Acta Crystallographica, B55, 85-94.
-
(1999)
Acta Crystallographica
, vol.B55
, pp. 85-94
-
-
Kaduk, J.A.1
Golab, J.T.2
-
66
-
-
84913535422
-
Continuous similarity measure between nonoverlapping X-ray powder diagrams of different crystal modifications
-
Karfunkel, H. R., Rohde, B., Leusen, F. J. J., Gdanitz, R. J. & Rihs, G. (1993) Continuous similarity measure between nonoverlapping X-ray powder diagrams of different crystal modifications. Journal of Computational Chemistry, 14, 1125-1135.
-
(1993)
Journal of Computational Chemistry
, vol.14
, pp. 1125-1135
-
-
Karfunkel, H.R.1
Rohde, B.2
Leusen, F.J.J.3
Gdanitz, R.J.4
Rihs, G.5
-
67
-
-
0000858626
-
Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone
-
Karfunkel, H. R., Wu, Z. J., Burkhard, A., et al. (1996) Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone. Acta Crystallographica, B52, 555-561.
-
(1996)
Acta Crystallographica
, vol.B52
, pp. 555-561
-
-
Karfunkel, H.R.1
Wu, Z.J.2
Burkhard, A.3
-
68
-
-
0033559921
-
Evolving opportunities in structure solution from powder diffraction data-crystal structure determination of a molecular system with twelve variable torsion angles
-
Kariuki, B. M., Calcagno, P., Harris, K. D. M., Philp, D. & Johnston, R. L. (1999) Evolving opportunities in structure solution from powder diffraction data-crystal structure determination of a molecular system with twelve variable torsion angles. Angewandte Chemie, International Edition, 38, 831-835.
-
(1999)
Angewandte Chemie, International Edition
, vol.38
, pp. 831-835
-
-
Kariuki, B.M.1
Calcagno, P.2
Harris, K.D.M.3
Philp, D.4
Johnston, R.L.5
-
69
-
-
0031555419
-
The application of a genetic algorithm for solving crystal structures from powder diffraction data
-
Kariuki, B. M., Serrano-Gonzalez, H., Johnston, R. L. & Harris, K. D. M. (1997) The application of a genetic algorithm for solving crystal structures from powder diffraction data. Chemical Physics Letters, 280, 189-195.
-
(1997)
Chemical Physics Letters
, vol.280
, pp. 189-195
-
-
Kariuki, B.M.1
Serrano-Gonzalez, H.2
Johnston, R.L.3
Harris, K.D.M.4
-
70
-
-
0037452418
-
Ab initio structure determination of rofecoxib from powder diffraction data using molecular packing analysis method and direct space method
-
Kiang, Y. H., Xu, W. & Kaufman, M. J. (2003) Ab initio structure determination of rofecoxib from powder diffraction data using molecular packing analysis method and direct space method. International Journal ofPharmaceutics, 252, 213-223.
-
(2003)
International Journal ofPharmaceutics
, vol.252
, pp. 213-223
-
-
Kiang, Y.H.1
Xu, W.2
Kaufman, M.J.3
-
71
-
-
0032544492
-
Solution of the crystal and molecular structure of complex low-symmetry organic compounds with powder diffraction techniques: fluorescein diacetate
-
Knudsen, K. D., Pattison, P., Fitch, A. N. & Cernik, R. J. (1998) Solution of the crystal and molecular structure of complex low-symmetry organic compounds with powder diffraction techniques: fluorescein diacetate. Angewandte Chemie, International Edition, 37, 2340-2343.
-
(1998)
Angewandte Chemie, International Edition
, vol.37
, pp. 2340-2343
-
-
Knudsen, K.D.1
Pattison, P.2
Fitch, A.N.3
Cernik, R.J.4
-
74
-
-
0000610455
-
A simplified, texture-based method for intensity determination of overlapping reflections in powder diffraction
-
Lasocha, W. & Schenk, H. (1997) A simplified, texture-based method for intensity determination of overlapping reflections in powder diffraction. Journal ofApplied Crystallography, 30, 561-564.
-
(1997)
Journal ofApplied Crystallography
, vol.30
, pp. 561-564
-
-
Lasocha, W.1
Schenk, H.2
-
75
-
-
84890625180
-
-
The Chekcell computer program
-
Laugier, J. & Bochu, B. (2003) The Chekcell computer program. http://www.inpg.fr/lmgp (and CCP14).
-
(2003)
-
-
Laugier, J.1
Bochu, B.2
-
76
-
-
84890704972
-
-
Computer program overlap
-
Le Bail, A. (1988) Computer program overlap. http://sdpd.univ-lemans.fr/ftp/overlap.zip.
-
(1988)
-
-
Le Bail, A.1
-
77
-
-
37549006171
-
9, a complex structure determined from conventional X-ray powder diffraction
-
9, a complex structure determined from conventional X-ray powder diffraction. Journal of Solid State Chemistry, 103, 287-291.
-
(1993)
Journal of Solid State Chemistry
, vol.103
, pp. 287-291
-
-
Le Bail, A.1
-
78
-
-
84890699401
-
-
Structure determination by powder diffractometry- database
-
Le Bail, A. (1995) Structure determination by powder diffractometry- database. http://www.cristal.org/ iniref.html.
-
(1995)
-
-
Le Bail, A.1
-
79
-
-
84890725638
-
-
Powder pattern database
-
Le Bail, A. (1999) Powder pattern database: http://www.cristal.org/powbase/.
-
(1999)
-
-
Le Bail, A.1
-
80
-
-
0035189857
-
ESPOIR: a program for solving structures by Monte Carlo analysis of powder diffraction data
-
65-70
-
Le Bail, A. (2001a) ESPOIR: a program for solving structures by Monte Carlo analysis of powder diffraction data. Materials Science Forum, 378-381, 65-70.
-
(2001)
Materials Science Forum
, pp. 378-381
-
-
Le Bail, A.1
-
81
-
-
84876630320
-
Trends in structure determination by powder diffractometry
-
Kužel, R. & Hašek, J. (Eds), CSCA, Praha
-
Le Bail, A. (2001b) Trends in structure determination by powder diffractometry. In Kužel, R. & Hašek, J. (Eds) Advances in Structure Analysis. CSCA, Praha.
-
(2001)
Advances in Structure Analysis
-
-
Le Bail, A.1
-
82
-
-
84890601248
-
-
PCOD: Predicted Crystallography Open Database
-
Le Bail, A. (2003) PCOD: Predicted Crystallography Open Database. http://www.crystallography.net/ pcod/.
-
(2003)
-
-
Le Bail, A.1
-
83
-
-
5044226926
-
Monte Carlo indexing with McMaille
-
Le Bail, A. (2004a) Monte Carlo indexing with McMaille. Powder Diffraction, 19, 249-254.
-
(2004)
Powder Diffraction
, vol.19
, pp. 249-254
-
-
Le Bail, A.1
-
84
-
-
84890674420
-
-
Powder diffraction indexing benchmarks
-
Le Bail, A. (2004b) Powder diffraction indexing benchmarks. http://www.cristal.org/uppw/ benchmarks/
-
(2004)
-
-
Le Bail, A.1
-
85
-
-
16844375009
-
Inorganic structure prediction with GRINSP
-
Le Bail, A. (2005a) Inorganic structure prediction with GRINSP. Journal of Applied Crystallography, 38, 389-395.
-
(2005)
Journal of Applied Crystallography
, vol.38
, pp. 389-395
-
-
Le Bail, A.1
-
86
-
-
29244478653
-
Whole powder pattern decomposition methods and applications: a retrospection
-
Le Bail, A. (2005b) Whole powder pattern decomposition methods and applications: a retrospection. Powder Diffraction, 20, 316-326.
-
(2005)
Powder Diffraction
, vol.20
, pp. 316-326
-
-
Le Bail, A.1
-
88
-
-
84890664378
-
-
Structure determination by powder diffractometry mailing list
-
Le Bail, A. & Cranswick, L. M. D. (1999) Structure determination by powder diffractometry mailing list. http://tech.groups.yahoo.com/group/sdpd.
-
(1999)
-
-
Le Bail, A.1
Cranswick, L.M.D.2
-
91
-
-
0023978710
-
Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction
-
Le Bail, A., Duroy, H. & Fourquet, J. L. (1988) Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction. Materials Research Bulletin, 23, 447-452.
-
(1988)
Materials Research Bulletin
, vol.23
, pp. 447-452
-
-
Le Bail, A.1
Duroy, H.2
Fourquet, J.L.3
-
95
-
-
0035188684
-
Structure determination of powder diffractometry: internet course
-
47-52
-
Le Bail, A., Laligant, Y. & Jouanneaux, A. (2001) Structure determination of powder diffractometry: internet course. Materials Science Forum, 378-381, 47-52. http://www.cristal.org/DU-SDPD/
-
(2001)
Materials Science Forum
, pp. 378-381
-
-
Le Bail, A.1
Laligant, Y.2
Jouanneaux, A.3
-
96
-
-
0042927972
-
A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data
-
Le Bail, A., Stephens, P. W. & Hubert, F. (2003) A crystal structure for the souzalite/gormanite series from synchrotron powder diffraction data. European Journal of Mineralogy, 15, 719-723.
-
(2003)
European Journal of Mineralogy
, vol.15
, pp. 719-723
-
-
Le Bail, A.1
Stephens, P.W.2
Hubert, F.3
-
97
-
-
0027578484
-
Synchrotron high resolution powder study of molecular packing in calcium stearate hydrate
-
Lelann, P. & Berar, J. F. (1993) Synchrotron high resolution powder study of molecular packing in calcium stearate hydrate. Materials Research Bulletin, 28, 329-336.
-
(1993)
Materials Research Bulletin
, vol.28
, pp. 329-336
-
-
Lelann, P.1
Berar, J.F.2
-
99
-
-
0000190022
-
Ab initio structure determination from X-ray powder diffraction data of tetraaquabismuth(III) triflate obtained from the nonahydrate
-
Louër, M., Le Roux, C. & Dubac, J. (1997) Ab initio structure determination from X-ray powder diffraction data of tetraaquabismuth(III) triflate obtained from the nonahydrate. Chemistry of Materials, 9, 3012-3016.
-
(1997)
Chemistry of Materials
, vol.9
, pp. 3012-3016
-
-
Louër, M.1
Le Roux, C.2
Dubac, J.3
-
100
-
-
0000715872
-
Prediction of the crystal structures of perovskites using the software program spuds
-
Lufaso, M. W. & Woodward, P. M. (2001) Prediction of the crystal structures of perovskites using the software program spuds. Acta Crystallographica, B57, 725-738.
-
(2001)
Acta Crystallographica
, vol.B57
, pp. 725-738
-
-
Lufaso, M.W.1
Woodward, P.M.2
-
102
-
-
0035146613
-
A probabilistic approach to space-group determination from powder diffraction data
-
Markvardsen, A. J., David, W. I. F., Johnson, J. C. & Shankland, K. (2001) A probabilistic approach to space-group determination from powder diffraction data. Acta Crystallographica, A57, 47-54.
-
(2001)
Acta Crystallographica
, vol.A57
, pp. 47-54
-
-
Markvardsen, A.J.1
David, W.I.F.2
Johnson, J.C.3
Shankland, K.4
-
103
-
-
0028446422
-
P-Riscon: a real-space scavenger for crystal structure determination from powder diffraction data
-
Masciocchi, N., Bianchi, R., Cairati, P., Mezza, G., Pilati, T. & Sironi, A. (1994) P-Riscon: a real-space scavenger for crystal structure determination from powder diffraction data. Journal of Applied Crystallography, 27, 426-429.
-
(1994)
Journal of Applied Crystallography
, vol.27
, pp. 426-429
-
-
Masciocchi, N.1
Bianchi, R.2
Cairati, P.3
Mezza, G.4
Pilati, T.5
Sironi, A.6
-
104
-
-
0030190973
-
Synthesis optimization and structure analysis of the zincosilicate molecular sieve VPI-9
-
McCusker, L. B., Grosse-Kunstleve, R. W., Baerlocher, C., Yoshikawa, M. & Davis, M. E. (1996) Synthesis optimization and structure analysis of the zincosilicate molecular sieve VPI-9. Microporous Materials, 6, 295-309.
-
(1996)
Microporous Materials
, vol.6
, pp. 295-309
-
-
McCusker, L.B.1
Grosse-Kunstleve, R.W.2
Baerlocher, C.3
Yoshikawa, M.4
Davis, M.E.5
-
105
-
-
0037120167
-
Compu tational design and prediction of interesting not-yet-synthesized structures of inorganic materials by using building unit concepts
-
Mellot-Draznieks, C., Girard, S., Férey, G., Schon, J. C., Cancarevic, Z. & Jansen, M. (2002) Compu tational design and prediction of interesting not-yet-synthesized structures of inorganic materials by using building unit concepts. Chemistry - A European Journal, 8, 4102-4113.
-
(2002)
Chemistry - A European Journal
, vol.8
, pp. 4102-4113
-
-
Mellot-Draznieks, C.1
Girard, S.2
Férey, G.3
Schon, J.C.4
Cancarevic, Z.5
Jansen, M.6
-
106
-
-
0034600894
-
De novo prediction of inorganic structures developed through automated assembly of secondary building units (AASBU method)
-
Mellot-Draznieks, C., Newsam, J. M., Gorman, A. M., Freeman, C. M. & Férey, G. (2000) De novo prediction of inorganic structures developed through automated assembly of secondary building units (AASBU method). Angewandte Chemie, International Edition, 39, 2270-2275.
-
(2000)
Angewandte Chemie, International Edition
, vol.39
, pp. 2270-2275
-
-
Mellot-Draznieks, C.1
Newsam, J.M.2
Gorman, A.M.3
Freeman, C.M.4
Férey, G.5
-
107
-
-
0036969285
-
Conformational analysis by solid-state NMR and its application to restrained structure determination from powder diffraction data
-
Middleton, D. A., Peng, X., Saunders, D., Shankland, K., David, W. I. F. & Markvardsen, A. J. (2002) Conformational analysis by solid-state NMR and its application to restrained structure determination from powder diffraction data. Chemical Communications, 1976-1977.
-
(2002)
Chemical Communications
, pp. 1976-1977
-
-
Middleton, D.A.1
Peng, X.2
Saunders, D.3
Shankland, K.4
David, W.I.F.5
Markvardsen, A.J.6
-
108
-
-
0001173645
-
The low-temperature crystal structure of RS-camphor
-
Mora, A. J. & Fitch, A. N. (1997) The low-temperature crystal structure of RS-camphor. Journal of Solid State Chemistry, 134, 211-214.
-
(1997)
Journal of Solid State Chemistry
, vol.134
, pp. 211-214
-
-
Mora, A.J.1
Fitch, A.N.2
-
109
-
-
0000600136
-
Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction
-
Morris, R. E., Harrison, W. T. A., Nicol, J. M., Wilinson, A. P. & Cheetham, A. K. (1992) Determination of complex structures by combined neutron and synchrotron X-ray powder diffraction. Nature, 359, 519-522.
-
(1992)
Nature
, vol.359
, pp. 519-522
-
-
Morris, R.E.1
Harrison, W.T.A.2
Nicol, J.M.3
Wilinson, A.P.4
Cheetham, A.K.5
-
111
-
-
0002712883
-
Direct space methods of structure solution from powder diffraction data. Accuracy in powder diffraction II
-
Newsam, J. M., Deem, M. W. & Freeman, C. M. (1992) Direct space methods of structure solution from powder diffraction data. Accuracy in powder diffraction II. NIST Special Publication, 846, 80-91.
-
(1992)
NIST Special Publication
, vol.846
, pp. 80-91
-
-
Newsam, J.M.1
Deem, M.W.2
Freeman, C.M.3
-
113
-
-
10644293057
-
Ab initio structure solution by charge flipping
-
Oszlányi, G. & Süto, A. (2004) Ab initio structure solution by charge flipping. Acta Crystallographica, A60, 134-141.
-
(2004)
Acta Crystallographica
, vol.A60
, pp. 134-141
-
-
Oszlányi, G.1
Süto, A.2
-
114
-
-
0034673656
-
The structure of malaria pigment β-haematin
-
Pagola, S., Stephens, P. W., Bohle, D. S., Kosar, A. D. & Madsen, S. K. (2000) The structure of malaria pigment β-haematin. Nature (London), 404, 307-310.
-
(2000)
Nature (London)
, vol.404
, pp. 307-310
-
-
Pagola, S.1
Stephens, P.W.2
Bohle, D.S.3
Kosar, A.D.4
Madsen, S.K.5
-
115
-
-
33846465430
-
Crystal structure prediction of organic pigments: quinacridone as an example
-
Panina, N., Leusen, F. J. J., Janssen, F. F. B. J., et al. (2007) Crystal structure prediction of organic pigments: quinacridone as an example. Journal ofApplied Crystallography, 40, 105-114.
-
(2007)
Journal ofApplied Crystallography
, vol.40
, pp. 105-114
-
-
Panina, N.1
Leusen, F.J.J.2
Janssen, F.F.B.J.3
-
116
-
-
0001362247
-
Unit-cell refinement from powder diffraction scans
-
Pawley, G. S. (1981) Unit-cell refinement from powder diffraction scans. Journal of Applied Crystallography, 14, 357-361.
-
(1981)
Journal of Applied
, vol.14
, pp. 357-361
-
-
Pawley, G.S.1
-
117
-
-
11944256577
-
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
-
Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A. & Joannopoulos, J. D. (1992) Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients. Reviews ofModern Physics, 64, 1045-1097.
-
(1992)
Reviews ofModern Physics
, vol.64
, pp. 1045-1097
-
-
Payne, M.C.1
Teter, M.P.2
Allan, D.C.3
Arias, T.A.4
Joannopoulos, J.D.5
-
119
-
-
0000677185
-
Synthesis and X-ray powder structures of three novel titanium phosphate compounds
-
Poojary, D. M., Bortun, A. I., Bortun, L. N. & Clearfield, A. (1997) Synthesis and X-ray powder structures of three novel titanium phosphate compounds. Journal of Solid State Chemistry, 132, 213-223.
-
(1997)
Journal of Solid State Chemistry
, vol.132
, pp. 213-223
-
-
Poojary, D.M.1
Bortun, A.I.2
Bortun, L.N.3
Clearfield, A.4
-
120
-
-
0000004183
-
2O, from conventional X-ray powder diffraction data
-
2O, from conventional X-ray powder diffraction data. Inorganic Chemistry, 35, 1468-1473.
-
(1996)
Inorganic Chemistry
, vol.35
, pp. 1468-1473
-
-
Poojary, D.M.1
Cabeza, A.2
Aranda, M.A.G.3
Bruque, S.4
Clearfield, A.5
-
122
-
-
84985598320
-
Structural aspects of oligothienyl series from X-ray powder diffraction data
-
Porzio, W., Destri, S., Mascherpa, M. & Brückner, S. (1993) Structural aspects of oligothienyl series from X-ray powder diffraction data. Acta Polymerica, 44, 266-272.
-
(1993)
Acta Polymerica
, vol.44
, pp. 266-272
-
-
Porzio, W.1
Destri, S.2
Mascherpa, M.3
Brückner, S.4
-
123
-
-
0000123109
-
Phase determination and Patterson maps from multiwavelength powder data
-
Prandl, W. (1990) Phase determination and Patterson maps from multiwavelength powder data. Acta Crystallographica, A46, 988-992.
-
(1990)
Acta Crystallographica
, vol.A46
, pp. 988-992
-
-
Prandl, W.1
-
124
-
-
0006294782
-
Phase determination from X-ray powder diffraction data. II. Partial Patterson maps and the localization of anomalously scattering atoms
-
Prandl, W. (1994) Phase determination from X-ray powder diffraction data. II. Partial Patterson maps and the localization of anomalously scattering atoms. Acta Crystallographica, A50, 52-55.
-
(1994)
Acta Crystallographica
, vol.A50
, pp. 52-55
-
-
Prandl, W.1
-
125
-
-
1042287179
-
The computational prediction of pharmaceutical crystal structures and polymorphism
-
Price, S. L. (2004) The computational prediction of pharmaceutical crystal structures and polymorphism. Advanced Drug Delivery Reviews, 56, 301-319.
-
(2004)
Advanced Drug Delivery Reviews
, vol.56
, pp. 301-319
-
-
Price, S.L.1
-
126
-
-
0001767502
-
Combined method for ab initio structure solution from powder diffraction data
-
Putz, H., Schon, J. C. & Jansen, M. (1999) Combined method for ab initio structure solution from powder diffraction data. Journal ofApplied Crystallography, 32, 864-870.
-
(1999)
Journal ofApplied Crystallography
, vol.32
, pp. 864-870
-
-
Putz, H.1
Schon, J.C.2
Jansen, M.3
-
127
-
-
0002211129
-
Profile refinement method for nuclear and magnetic structures
-
Rietveld, H. M. (1969) Profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2, 65-71.
-
(1969)
Journal of Applied Crystallography
, vol.2
, pp. 65-71
-
-
Rietveld, H.M.1
-
128
-
-
29144441032
-
Solving centrosymmetrical zeolites from powder diffraction data by combining the direct-methods origin-free modulus sum function with the isomorphous replacement technique. Part 10
-
Rius-Palleiro, J., Peral, I., Margiolaki, I. & Torrelles, X. (2005) Solving centrosymmetrical zeolites from powder diffraction data by combining the direct-methods origin-free modulus sum function with the isomorphous replacement technique. Part 10. Journal of Applied Crystallography, 38, 906-911.
-
(2005)
Journal of Applied Crystallography
, vol.38
, pp. 906-911
-
-
Rius-Palleiro, J.1
Peral, I.2
Margiolaki, I.3
Torrelles, X.4
-
129
-
-
0033234101
-
XLENS, a direct methods program based on the modulus sum function: its application to powder data
-
Rius, J. (1999) XLENS, a direct methods program based on the modulus sum function: its application to powder data. Powder Diffraction, 14, 267-273.
-
(1999)
Powder Diffraction
, vol.14
, pp. 267-273
-
-
Rius, J.1
-
130
-
-
11844296709
-
Advances and some recent applications of the origin-free modulus sum function
-
Rius, J. (2004) Advances and some recent applications of the origin-free modulus sum function. Zeitschrift Fuer Kristallographie, 219, 826-832.
-
(2004)
Zeitschrift Fuer Kristallographie
, vol.219
, pp. 826-832
-
-
Rius, J.1
-
131
-
-
0027677473
-
Recent advances in magnetic structure determination by neutron powder diffraction
-
Rodriguez-Carvajal, J. (1993) Recent advances in magnetic structure determination by neutron powder diffraction. Physica B, 192, 55-69.
-
(1993)
Physica B
, vol.192
, pp. 55-69
-
-
Rodriguez-Carvajal, J.1
-
132
-
-
0035184477
-
WinPLOTR: a windows tool for powder diffraction pattern analysis
-
118-123
-
Roisnel, T. & Rodriguez-Carvajal, J. (2001) WinPLOTR: a windows tool for powder diffraction pattern analysis. Materials Science Forum, 378-381, 118-123.
-
(2001)
Materials Science Forum
, pp. 378-381
-
-
Roisnel, T.1
Rodriguez-Carvajal, J.2
-
134
-
-
0000823720
-
2 determined from synchrotron X-ray and neutron powder data
-
2 determined from synchrotron X-ray and neutron powder data. European Journal of Solid State and Inorganic Chemistry, 34, 1237-1247.
-
(1997)
European Journal of Solid State and Inorganic Chemistry
, vol.34
, pp. 1237-1247
-
-
Salvado, M.A.1
Pertierra, P.2
Garcia-Granda, S.3
Garcia, J.R.4
Fernandez-Diaz, M.T.5
Dooryhee, E.6
-
136
-
-
33746379295
-
Crystal structures of pigment red 170 and derivatives, as determined by X-ray powder diffraction
-
Schmidt, M. U., Hofmann, D. W. M., Buchsbaum, C. & Metz, H. J. (2006) Crystal structures of pigment red 170 and derivatives, as determined by X-ray powder diffraction. Angewandte Chemie, International Edition, 45, 1313-1317.
-
(2006)
Angewandte Chemie, International Edition
, vol.45
, pp. 1313-1317
-
-
Schmidt, M.U.1
Hofmann, D.W.M.2
Buchsbaum, C.3
Metz, H.J.4
-
137
-
-
0034976805
-
Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems - Part II
-
Schon, J. C. & Jansen, M. (2001a) Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems - Part II. Zeitschrift Fuer Kristallographie, 216, 361-383.
-
(2001)
Zeitschrift Fuer Kristallographie
, vol.216
, pp. 361-383
-
-
Schon, J.C.1
Jansen, M.2
-
138
-
-
0034976805
-
Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems. Part 1
-
Schon, J. C. & Jansen, M. (2001b) Determination, prediction, and understanding of structures, using the energy landscapes of chemical systems. Part 1. Zeitschrift Fuer Kristallographie, 216, 307-325.
-
(2001)
Zeitschrift Fuer Kristallographie
, vol.216
, pp. 307-325
-
-
Schon, J.C.1
Jansen, M.2
-
140
-
-
84889413107
-
Crystal structure determination from powder diffraction data by the application of a genetic algorithm
-
Shankland, K., David, W. I. F. & Csoka, T. (1997a) Crystal structure determination from powder diffraction data by the application of a genetic algorithm. Zeitschrift Fuer Kristallographie, 212, 550-552.
-
(1997)
Zeitschrift Fuer Kristallographie
, vol.212
, pp. 550-552
-
-
Shankland, K.1
David, W.I.F.2
Csoka, T.3
-
141
-
-
0001101772
-
Routine ab initio structure determination of chlorothiazide by X-ray powder diffraction using optimized data collection and analysis strategies
-
Shankland, K., David, W. I. F. & Sivia, D. S. (1997b) Routine ab initio structure determination of chlorothiazide by X-ray powder diffraction using optimized data collection and analysis strategies. Journal of Materials Chemistry, 7, 569-572.
-
(1997)
Journal of Materials Chemistry
, vol.7
, pp. 569-572
-
-
Shankland, K.1
David, W.I.F.2
Sivia, D.S.3
-
142
-
-
84943920736
-
Phase annealing in SHELX-90: direct methods for larger structures
-
Sheldrick, G. M. (1990) Phase annealing in SHELX-90: direct methods for larger structures. Acta Crystallographica, A46, 467-473.
-
(1990)
Acta Crystallographica
, vol.A46
, pp. 467-473
-
-
Sheldrick, G.M.1
-
143
-
-
5044219848
-
Overview of powder-indexing program algorithms (history and strengths and weaknesses)
-
Shirley, R. (2003) Overview of powder-indexing program algorithms (history and strengths and weaknesses). IUCR Computing Commission Newsletter, 2, 48-54.
-
(2003)
IUCR Computing Commission Newsletter
, vol.2
, pp. 48-54
-
-
Shirley, R.1
-
144
-
-
0002087368
-
FN: a criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing
-
Smith, G. S. & Snyder, R. L. (1979) FN: a criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing. Journal ofApplied Crystallography, 12, 60-65.
-
(1979)
Journal ofApplied Crystallography
, vol.12
, pp. 60-65
-
-
Smith, G.S.1
Snyder, R.L.2
-
145
-
-
34249047284
-
Ab initio structure determination of 5-anilinomethylene-2, 2-dimethyl-1, 3-dioxane-4, 6-dione from laboratory powder data - a combined use of X-ray, molecular and solid-state DFT study
-
Smrčok, L., Jorik, V., Scholtzová, E. & Milata, V. (2007) Ab initio structure determination of 5-anilinomethylene-2, 2-dimethyl-1, 3-dioxane-4, 6-dione from laboratory powder data - a combined use of X-ray, molecular and solid-state DFT study. Acta Crystallographica, B63, 477-484.
-
(2007)
Acta Crystallographica
, vol.B63
, pp. 477-484
-
-
Smrčok, L.1
Jorik, V.2
Scholtzová, E.3
Milata, V.4
-
146
-
-
4243552044
-
Application of a simulated annealing approach in powder crystal structure analysis
-
195-200
-
Solovyov, L. A. & Kirik, S. D. (1993) Application of a simulated annealing approach in powder crystal structure analysis. Materials Science Forum, 133-136, 195-200.
-
(1993)
Materials Science Forum
, pp. 133-136
-
-
Solovyov, L.A.1
Kirik, S.D.2
-
147
-
-
18944373586
-
PSSP: an open source powder structure solution program for direct space simulated annealing
-
Stephens, P. W. & Huq, A. (2002) PSSP: an open source powder structure solution program for direct space simulated annealing. ACA Transactions, 37, 125-142.
-
(2002)
ACA Transactions
, vol.37
, pp. 125-142
-
-
Stephens, P.W.1
Huq, A.2
-
149
-
-
84977295159
-
An application of the powder-pattern-fitting technique to the structure determination of one-dimensionally oriented fibrous crystals: the structure of tetrakis(dimethylammonium) hexamolybdate(VI) dihydrate
-
Toraya, H., Marumo, F. & Yamase, T. (1984) An application of the powder-pattern-fitting technique to the structure determination of one-dimensionally oriented fibrous crystals: the structure of tetrakis(dimethylammonium) hexamolybdate(VI) dihydrate. Acta Crystallographica, B40, 145-150.
-
(1984)
Acta Crystallographica
, vol.B40
, pp. 145-150
-
-
Toraya, H.1
Marumo, F.2
Yamase, T.3
-
150
-
-
4644318015
-
Enumeration of periodic tetrahedral frameworks. II. Polynodal graphs
-
Treacy, M. M. J., Rivin, I., Balkovsky, E., Randall, K. H. & Foster, M. D. (2004) Enumeration of periodic tetrahedral frameworks. II. Polynodal graphs. Microporous and Mesoporous Materials, 74, 121-132.
-
(2004)
Microporous and Mesoporous Materials
, vol.74
, pp. 121-132
-
-
Treacy, M.M.J.1
Rivin, I.2
Balkovsky, E.3
Randall, K.H.4
Foster, M.D.5
-
151
-
-
0030803089
-
Structure determination of a complex organic solid from X-ray powder diffraction data by a generalized Monte Carlo method: the crystal structure of red fluorescein
-
Tremayne, M., Kariuki, B. M. & Harris, K. D. M. (1997) Structure determination of a complex organic solid from X-ray powder diffraction data by a generalized Monte Carlo method: the crystal structure of red fluorescein. Angewandte Chemie, International Edition in English, 36, 770-772.
-
(1997)
Angewandte Chemie, International Edition in English
, vol.36
, pp. 770-772
-
-
Tremayne, M.1
Kariuki, B.M.2
Harris, K.D.M.3
-
152
-
-
0000698294
-
Structure predictions allowing more than one molecule in the asymmetric unit
-
Van Eijck, B. P. & Kroon, J. (2000) Structure predictions allowing more than one molecule in the asymmetric unit. Acta Crystallographica, B56, 535-542.
-
(2000)
Acta Crystallographica
, vol.B56
, pp. 535-542
-
-
Van Eijck, B.P.1
Kroon, J.2
-
153
-
-
0014552766
-
A fully automatic program for finding the unit cell from powder data
-
Visser, J. W. (1969) A fully automatic program for finding the unit cell from powder data. Journal of Applied Crystallography, 2, 89-95.
-
(1969)
Journal of Applied Crystallography
, vol.2
, pp. 89-95
-
-
Visser, J.W.1
-
154
-
-
0034508224
-
The first protein crystal structure determined from high-resolution X-ray powder diffraction data: a variant of T3R3 human insulin-zinc complex produced by grinding
-
Von Dreele, R. B., Stephens, P. W., Smith, G. D. & Blessing, R. H. (2000) The first protein crystal structure determined from high-resolution X-ray powder diffraction data: a variant of T3R3 human insulin-zinc complex produced by grinding. Acta Crystallographica, D56, 1549-1553.
-
(2000)
Acta Crystallographica
, vol.D56
, pp. 1549-1553
-
-
Von Dreele, R.B.1
Stephens, P.W.2
Smith, G.D.3
Blessing, R.H.4
-
155
-
-
0000858469
-
TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries
-
Werner, P. E., Eriksson, L. & Westdahl, M. (1985) TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries. Journal ofApplied Crystallography, 18, 367-370.
-
(1985)
Journal ofApplied Crystallography
, vol.18
, pp. 367-370
-
-
Werner, P.E.1
Eriksson, L.2
Westdahl, M.3
-
156
-
-
8844232983
-
Prediction of crystal structures using evolutionary algorithms and related techniques
-
Woodley, S. M. (2004) Prediction of crystal structures using evolutionary algorithms and related techniques. Structure and Bonding (Berlin, Germany), 110, 95-132.
-
(2004)
Structure and Bonding (Berlin, Germany)
, vol.110
, pp. 95-132
-
-
Woodley, S.M.1
-
157
-
-
11844292780
-
Extraction and use of correlated integrated intensities with powder diffraction data
-
Wright, J. P. (2004) Extraction and use of correlated integrated intensities with powder diffraction data. Zeitschrift Fuer Kristallographie, 219, 791-802.
-
(2004)
Zeitschrift Fuer Kristallographie
, vol.219
, pp. 791-802
-
-
Wright, J.P.1
-
158
-
-
0035710530
-
Docetaxel. Solid state characterization by X-ray powder diffraction and thermogravimetry
-
Zaske, L., Perrin, M. A. & Leveiller, F. (2001) Docetaxel. Solid state characterization by X-ray powder diffraction and thermogravimetry. Journal de Physique IV: Proceedings, 11, 221-226.
-
(2001)
Journal de Physique IV: Proceedings
, vol.11
, pp. 221-226
-
-
Zaske, L.1
Perrin, M.A.2
Leveiller, F.3
|