메뉴 건너뛰기




Volumn 219, Issue 12, 2004, Pages 833-837

Towards EXPO2005

Author keywords

EXPO2005; Powder diffraction; Simulated annealing

Indexed keywords

AB INITIO CALCULATION; CRYSTAL STRUCTURE; DECOMPOSITION; POWDER DIFFRACTION; REVIEW; SIMULATION; TEMPERATURE;

EID: 11944270654     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.219.12.833.55860     Document Type: Review
Times cited : (14)

References (38)
  • 1
    • 0000647095 scopus 로고    scopus 로고
    • Solving crystal structures from powder data. I. The role of the prior information in the two-stage method
    • Altomare, A.; Carrozzini, B.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Rizzi, R.: Solving Crystal Structures from Powder Data. I. The Role of the Prior Information in the Two-Stage Method. J. Appl. Cryst. 29 (1996a) 667-673.
    • (1996) J. Appl. Cryst. , vol.29 , pp. 667-673
    • Altomare, A.1    Carrozzini, B.2    Giacovazzo, C.3    Guagliardi, A.4    Moliterni, A.G.G.5    Rizzi, R.6
  • 2
    • 2542546522 scopus 로고    scopus 로고
    • Solving Crystal Structures from Powder Data. II. Pseudotranslational Symmetry and Powder-Pattern Decomposition
    • Altomare, A.; Foadi, J.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.: Solving Crystal Structures from Powder Data. II. Pseudotranslational Symmetry and Powder-Pattern Decomposition. J. Appl. Cryst. 29 (1996b) 674-681.
    • (1996) J. Appl. Cryst. , vol.29 , pp. 674-681
    • Altomare, A.1    Foadi, J.2    Giacovazzo, C.3    Guagliardi, A.4    Moliterni, A.G.G.5
  • 5
    • 0001223369 scopus 로고    scopus 로고
    • Solving crystal structures from powder data. V. Located molecular fragment and powder-pattern decomposition
    • Altomare, A.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G.; Rizzi, R.: Solving crystal structures from powder data. V. Located molecular fragment and powder-pattern decomposition. J. Appl. Cryst. 32 (1999b) 963-967.
    • (1999) J. Appl. Cryst. , vol.32 , pp. 963-967
    • Altomare, A.1    Giacovazzo, C.2    Guagliardi, A.3    Moliterni, A.G.G.4    Rizzi, R.5
  • 7
    • 0034477928 scopus 로고    scopus 로고
    • Completion of crystal structures from powder data: The use of the coordination polyhedra
    • Altomare, A.; Giacovazzo, C.; Guagliardi, A.; Moliterni, A. G. G; Rizzi, R.: Completion of crystal structures from powder data: the use of the coordination polyhedra. J. Appl. Cryst. 33 (2000b) 1305-1310.
    • (2000) J. Appl. Cryst. , vol.33 , pp. 1305-1310
    • Altomare, A.1    Giacovazzo, C.2    Guagliardi, A.3    Moliterni, A.G.4    Rizzi, R.5
  • 8
    • 0035216972 scopus 로고    scopus 로고
    • A random procedure for the decomposition of a powder pattern in EXPO
    • Altomare A.; Giacovazzo C.; Moliterni A. G. G.; Rizzi R.: A random procedure for the decomposition of a powder pattern in EXPO. J. Appl. Cryst. 34 (2001) 704-709.
    • (2001) J. Appl. Cryst. , vol.34 , pp. 704-709
    • Altomare, A.1    Giacovazzo, C.2    Moliterni, A.G.G.3    Rizzi, R.4
  • 10
    • 0037395068 scopus 로고    scopus 로고
    • Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods
    • Altomare, A.; Caliandro, R.; Giacovazzo, C.; Moliterni, A. G. G.; Rizzi, R.: Solution of organic crystal structures from powder diffraction by combining simulated annealing and direct methods. J. Appl. Cryst. 36 (2003b) 230-238.
    • (2003) J. Appl. Cryst. , vol.36 , pp. 230-238
    • Altomare, A.1    Caliandro, R.2    Giacovazzo, C.3    Moliterni, A.G.G.4    Rizzi, R.5
  • 13
    • 0001249581 scopus 로고    scopus 로고
    • Ab initio solution of a complex crystal structure from powder-diffraction data using simulated-annealing method and a high degree of molecular flexibility
    • Andreev, Y. G.; MacGlashan, G. S.; Bruce, P. G.: Ab initio solution of a complex crystal structure from powder-diffraction data using simulated-annealing method and a high degree of molecular flexibility. Phys. Rev. B55 (1997) 12011-12017.
    • (1997) Phys. Rev. B , vol.55 , pp. 12011-12017
    • Andreev, Y.G.1    MacGlashan, G.S.2    Bruce, P.G.3
  • 15
    • 0002562577 scopus 로고    scopus 로고
    • Solving crystal structures from powder data. III. The use of the probability distributions for estimating the IFI's
    • Carrozzini, B.; Giacovazzo, C.; Guagliardi, A.; Rizzi, R.; Burla, M. C.; Polidori, G.: Solving Crystal Structures from Powder Data. III. The Use of the Probability Distributions for Estimating the IFI's. J. Appl. Cryst. 30 (1997) 92-97.
    • (1997) J. Appl. Cryst. , vol.30 , pp. 92-97
    • Carrozzini, B.1    Giacovazzo, C.2    Guagliardi, A.3    Rizzi, R.4    Burla, M.C.5    Polidori, G.6
  • 18
    • 21844460227 scopus 로고    scopus 로고
    • Routine determination of molecular crystal structures from powder diffraction data
    • David, W. I. F.; Shankland, K.; Shankland, N.: Routine determination of molecular crystal structures from powder diffraction data. Chem. Commun. (1998) 931-932.
    • (1998) Chem. Commun. , pp. 931-932
    • David, W.I.F.1    Shankland, K.2    Shankland, N.3
  • 21
    • 0036341372 scopus 로고    scopus 로고
    • Completion of crystal structure by powder diffraction data: A new method for locating atoms with polyhedral coordination
    • Giacovazzo, C.; Altomare, A.; Cuocci, C.; Moliterni, A. G. G.; Rizzi, R.: Completion of crystal structure by powder diffraction data: a new method for locating atoms with polyhedral coordination. J. Appl. Cryst. 35 (2002) 422-429.
    • (2002) J. Appl. Cryst. , vol.35 , pp. 422-429
    • Giacovazzo, C.1    Altomare, A.2    Cuocci, C.3    Moliterni, A.G.G.4    Rizzi, R.5
  • 22
    • 0031211054 scopus 로고    scopus 로고
    • Computationally assisted structure determination from molecular materials from X-ray powder diffraction data
    • Hammond, R. B.; Roberts, K. J.; Docherty, R.; Edmondson, M.: Computationally assisted structure determination from molecular materials from X-ray powder diffraction data. J. Phys. Chem. B101 (1997) 6532.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 6532
    • Hammond, R.B.1    Roberts, K.J.2    Docherty, R.3    Edmondson, M.4
  • 23
    • 0001295640 scopus 로고
    • Crystal structure determination from powder diffraction data by Monte Carlo methods
    • Harris, K. D. M.; Tremayne, M.; Lightfoot, P.; Bruce, P. G.: Crystal structure determination from powder diffraction data by Monte Carlo methods. J. Am. Chem. Soc. 116 (1994) 3543.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 3543
    • Harris, K.D.M.1    Tremayne, M.2    Lightfoot, P.3    Bruce, P.G.4
  • 24
    • 0000066149 scopus 로고    scopus 로고
    • The Genetic Algorithm: Foundations and Apllications in Structure Solution from Powder Diffraction Data
    • Harris, K. D. M.; Johnston, R. L.; Kariuki, B. M.: The Genetic Algorithm: Foundations and Apllications in Structure Solution from Powder Diffraction Data. Acta Cryst. A54 (1998) 632-645.
    • (1998) Acta Cryst. A , vol.54 , pp. 632-645
    • Harris, K.D.M.1    Johnston, R.L.2    Kariuki, B.M.3
  • 25
    • 0035805105 scopus 로고    scopus 로고
    • Contemporary advances in the use of powder X-ray diffraction for structure determination
    • Harris K. D. M.; Treymayne M.; Kariuki B. M.: Contemporary advances in the use of powder X-ray diffraction for structure determination. Angew. Chem. Int. Ed. 40 (2001) 1626-1651.
    • (2001) Angew. Chem. Int. Ed. , vol.40 , pp. 1626-1651
    • Harris, K.D.M.1    Treymayne, M.2    Kariuki, B.M.3
  • 26
    • 0031555419 scopus 로고    scopus 로고
    • The applications of a genetic algorithm from solving crystal structures from powder diffraction data
    • Kariuki, B. M.; Serrano-González, H.; Johnston, R. L.; Harris, H. D. M.: The applications of a genetic algorithm from solving crystal structures from powder diffraction data. Chem. Phys. Lett. 280 (1997) 189-195.
    • (1997) Chem. Phys. Lett. , vol.280 , pp. 189-195
    • Kariuki, B.M.1    Serrano-González, H.2    Johnston, R.L.3    Harris, H.D.M.4
  • 27
    • 0343136966 scopus 로고
    • Optimization by simulated annealing - Quantitative studies
    • Kirkpatrick, S.: Optimization by Simulated Annealing - Quantitative studies. Stat. Phys. 34 (1983) 975-986.
    • (1983) Stat. Phys. , vol.34 , pp. 975-986
    • Kirkpatrick, S.1
  • 28
    • 0023978710 scopus 로고
    • Ab-initio structure determination of LiSbWO by X-ray powder diffraction
    • Le Bail, A.; Duroy, H.; Fourquet, J. L.: Ab-initio structure determination of LiSbWO by X-ray powder diffraction. Mater. Res. Bull. 23 (1988) 447-452.
    • (1988) Mater. Res. Bull. , vol.23 , pp. 447-452
    • Le Bail, A.1    Duroy, H.2    Fourquet, J.L.3
  • 31
    • 0001977133 scopus 로고
    • POSIT-a method for structure determination of small partially known molecules from powder diffraction data. Structure of 6-methyl-1,2,3,4- tetrahydropyrimidine-2,4-dione (6-methyluracil)
    • Reck, G.; Kretshmer, R. G.; Kutschabsky, L.; Pritzkow, W.: POSIT-a method for structure determination of small partially known molecules from powder diffraction data. Structure of 6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (6-methyluracil). Acta Cryst. A44 (1988) 417-421.
    • (1988) Acta Cryst. A , vol.44 , pp. 417-421
    • Reck, G.1    Kretshmer, R.G.2    Kutschabsky, L.3    Pritzkow, W.4
  • 32
    • 0002211129 scopus 로고
    • A profile refinement method for nuclear and magnetic structures
    • Rietveld, H. M.: A profile refinement method for nuclear and magnetic structures. J. Appl. Cryst. 2 (1969) 65-71.
    • (1969) J. Appl. Cryst. , vol.2 , pp. 65-71
    • Rietveld, H.M.1
  • 33
    • 84889413107 scopus 로고    scopus 로고
    • Crystal structure determination from powder diffraction data by the application of a genetic algorithm
    • Shankland, K.; David, W. I. F.; Csoka, T: Crystal structure determination from powder diffraction data by the application of a genetic algorithm. Z. Kristallogr. 212 (1997) 550.
    • (1997) Z. Kristallogr. , vol.212 , pp. 550
    • Shankland, K.1    David, W.I.F.2    Csoka, T.3
  • 34
    • 0032550316 scopus 로고    scopus 로고
    • Structure solution of Ibuprofen from powder diffraction data by the application of a genetic algorithm combined with prior conformational analysis
    • Shankland, K.; David, W. I. F.; Csoka, T.; McBride, L.: Structure solution of Ibuprofen from powder diffraction data by the application of a genetic algorithm combined with prior conformational analysis. Int. J. Pharm. 165 (1998) 117-126.
    • (1998) Int. J. Pharm. , vol.165 , pp. 117-126
    • Shankland, K.1    David, W.I.F.2    Csoka, T.3    McBride, L.4
  • 37
    • 0001001892 scopus 로고    scopus 로고
    • 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.: 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. Angew. Chem. 109 (1997) 788.
    • (1997) Angew. Chem. , vol.109 , pp. 788
    • Tremayne, M.1    Kariuki, B.M.2    Harris, K.D.M.3
  • 38
    • 0000858469 scopus 로고
    • TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries
    • Werner, P.-E.; Eriksson, L.; Westdahl, M.: TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries. J. Appl. Cryst. 18 (1985) 367-370.
    • (1985) J. Appl. Cryst. , vol.18 , pp. 367-370
    • Werner, P.-E.1    Eriksson, L.2    Westdahl, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.