-
1
-
-
0002735761
-
The Cambridge crystallographic data centre. Part 3. The unique molecule program
-
Allen, F. H., Kennard, O., Motherwell, W. D. S., Town, W. G., Watson, D. G., Scott, T. J. and Larson, A. C. (1974) The Cambridge crystallographic data centre. Part 3. The unique molecule program. Journal of Applied Crystallography, 7, 73-78.
-
(1974)
Journal of Applied Crystallography
, vol.7
, pp. 73-78
-
-
Allen, F.H.1
Kennard, O.2
Motherwell, W.D.S.3
Town, W.G.4
Watson, D.G.5
Scott, T.J.6
Larson, A.C.7
-
2
-
-
0001835759
-
3D search and research using the Cambridge Structural Database
-
Allen, F. H. and Kennard, O. (1993) 3D search and research using the Cambridge Structural Database. Chemical Design Automation News, 8, 31-37.
-
(1993)
Chemical Design Automation News
, vol.8
, pp. 31-37
-
-
Allen, F.H.1
Kennard, O.2
-
3
-
-
84950267569
-
Crystallographic databases: Search and retrieval of information from the Cambridge Structural Database
-
edited by Bürgi, H.-B. and Dunitz, J. D., Weinheim: VCH
-
Allen, F. H., Kennard, O. and Watson, D. G. (1994) Crystallographic databases: Search and retrieval of information from the Cambridge Structural Database. In: Structure Correlation edited by Bürgi, H.-B. and Dunitz, J. D., I, 71-100. Weinheim: VCH.
-
(1994)
Structure Correlation
, vol.1
, pp. 71-100
-
-
Allen, F.H.1
Kennard, O.2
Watson, D.G.3
-
4
-
-
0011241337
-
Rentgenostrukturnoe issledovanie kompleksov n-aminobenzojnoj kisloty s metallami. IV. Kristallicheskaja i molekuljarnaja struktura di-(n-aminobenzoata) -tetraakva-kobarta(II)
-
Amiraslanov, I. R., Mamedov, K. S., Movsumov, E. M., Musaev, F. N. and Nadzhafov, G. N. (1979) Rentgenostrukturnoe issledovanie kompleksov n-aminobenzojnoj kisloty s metallami. IV. Kristallicheskaja i molekuljarnaja struktura di-(n-aminobenzoata)-tetraakva-kobarta(II), Zhurnal Strukturnoj Khimii, 20, 1075-1080.
-
(1979)
Zhurnal Strukturnoj Khimii
, vol.20
, pp. 1075-1080
-
-
Amiraslanov, I.R.1
Mamedov, K.S.2
Movsumov, E.M.3
Musaev, F.N.4
Nadzhafov, G.N.5
-
5
-
-
0004244967
-
The 3-regular nets with four and six vertices per unit cell
-
Bader, M. and Klee, W. E. (1997) The 3-regular nets with four and six vertices per unit cell. Zeitschrift für Kristallographie, 212, 553-558.
-
(1997)
Zeitschrift für Kristallographie
, vol.212
, pp. 553-558
-
-
Bader, M.1
Klee, W.E.2
-
7
-
-
77957065825
-
Solved and unsolved problems in chemical graph theory
-
Gimbel, J., Kennedy, J. W. and Quintas, L. V. (Eds.) (1993)
-
Balaban, A. T. (1993) Solved and unsolved problems in chemical graph theory. In: Gimbel, J., Kennedy, J. W. and Quintas, L. V. (Eds.) (1993) Quo vadis, graph theory? Annals of Discrete Mathematics, 55, 109-126.
-
(1993)
Quo Vadis, Graph Theory? Annals of Discrete Mathematics
, vol.55
, pp. 109-126
-
-
Balaban, A.T.1
-
10
-
-
28344454065
-
Graph theory in computer science, chemistry and other fields
-
Beineke, L. W., McKee, S. and Terry, A. (1991) Graph theory in computer science, chemistry and other fields. Computational Mathematics and Applications, 34.
-
(1991)
Computational Mathematics and Applications
, vol.34
-
-
Beineke, L.W.1
McKee, S.2
Terry, A.3
-
11
-
-
84977299028
-
The role played by C-H⋯O and C-H⋯N interactions in determining molecular packing and conformation
-
Berkovitch-Yellin, Z. and Leiserowitz, L. (1984) The role played by C-H⋯O and C-H⋯N interactions in determining molecular packing and conformation. Acta Crystallographics, B40, 159-165.
-
(1984)
Acta Crystallographics
, vol.B40
, pp. 159-165
-
-
Berkovitch-Yellin, Z.1
Leiserowitz, L.2
-
12
-
-
0040508561
-
Conformational polymorphism. III. The crystal and molecular structures of form II and form III of iminodiacetic acid
-
Bernstein, J. (1979) Conformational polymorphism. III. The crystal and molecular structures of form II and form III of iminodiacetic acid. Acta Crystallographica, B35, 360-366.
-
(1979)
Acta Crystallographica
, vol.B35
, pp. 360-366
-
-
Bernstein, J.1
-
13
-
-
37049085450
-
Decoding hydrogen-bond patterns. The case of iminodiacetic acid
-
Bernstein, J., Etter, M. and MacDonald, J. C. (1990) Decoding hydrogen-bond patterns. The case of iminodiacetic acid. Journal of the Chemical Society, Perkin Transactions 2, 695-698.
-
(1990)
Journal of the Chemical Society, Perkin Transactions
, vol.2
, pp. 695-698
-
-
Bernstein, J.1
Etter, M.2
MacDonald, J.C.3
-
14
-
-
33748502022
-
Patterns in hydrogen bonding: Functionality and graph set analysis in crystals
-
Bernstein, J., Davis, R. E., Shimoni, L. and Chang, N.-L. (1995) Patterns in hydrogen bonding: Functionality and graph set analysis in crystals. Angewandte Chemie International Edition in English, 34, 1555-1573.
-
(1995)
Angewandte Chemie International Edition in English
, vol.34
, pp. 1555-1573
-
-
Bernstein, J.1
Davis, R.E.2
Shimoni, L.3
Chang, N.-L.4
-
15
-
-
28344455212
-
Mathematical basics of graph set analysis
-
Technische Universität Dresden
-
Bernstein, J., Ganter, G., Grell, J., Hengst, U., Kuske, D. and Pöschel, R. (1997) Mathematical basics of graph set analysis. Report MATH-AL-17-1997, Technische Universität Dresden.
-
(1997)
Report MATH-AL-17-1997
-
-
Bernstein, J.1
Ganter, G.2
Grell, J.3
Hengst, U.4
Kuske, D.5
Pöschel, R.6
-
17
-
-
5444260972
-
Analysis of topology of crystal lattice with the aid of the theory of graphs
-
Blatov, V. A. and Serezhkin, V. N. (1992) Analysis of topology of crystal lattice with the aid of the theory of graphs. Soviet Physics Crystallography, 37, 23-29.
-
(1992)
Soviet Physics Crystallography
, vol.37
, pp. 23-29
-
-
Blatov, V.A.1
Serezhkin, V.N.2
-
18
-
-
0039915663
-
The crystal and molecular structure of a monoclinic phase of iminodiacetic acid
-
Bomann, C. E., Herbertsson, H. and Oskarson, Å. (1974) The crystal and molecular structure of a monoclinic phase of iminodiacetic acid. Acta Crystallographica, B30, 378-382.
-
(1974)
Acta Crystallographica
, vol.B30
, pp. 378-382
-
-
Bomann, C.E.1
Herbertsson, H.2
Oskarson, Å.3
-
20
-
-
0000242407
-
Anthranilic acid II (o-aminobenzoic acid)
-
Boone, C. D. G., Derissen, J. L. and Schoone, J. C. (1977) Anthranilic acid II (o-aminobenzoic acid). Acta Crystallographica, B33, 3205-3206.
-
(1977)
Acta Crystallographica
, vol.B33
, pp. 3205-3206
-
-
Boone, C.D.G.1
Derissen, J.L.2
Schoone, J.C.3
-
22
-
-
84921911753
-
Crystal lattices
-
corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers
-
Burzlaff, H., Zimmermann, H. and de Wolff, P. M. (1996) Crystal lattices. In: International Tables for Crystallography, A, 751-792, corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers.
-
(1996)
International Tables for Crystallography
, vol.A
, pp. 751-792
-
-
Burzlaff, H.1
Zimmermann, H.2
De Wolff, P.M.3
-
23
-
-
28344448346
-
-
Cambridge Structural Database (CSD), CCDC home page http://www.ccdc.cam. ac.uk
-
CCDC Home Page
-
-
-
24
-
-
0026169733
-
6S) solved from synchrotron-radiation x-ray powder diffraction data
-
6S) solved from synchrotron-radiation x-ray powder diffraction data. Journal of Applied Crystallography, 24, 222-226.
-
(1991)
Journal of Applied Crystallography
, vol.24
, pp. 222-226
-
-
Cernik, R.J.1
Cheetham, A.K.2
Prout, C.K.3
Watkin, D.J.4
Wilkinson, A.P.5
Willis, B.T.M.6
-
25
-
-
0003402835
-
-
New York: Springer
-
Char, B. W., Geddes, K. O., Gonnet, G. H., Leong, B. L., Monagan, M. B. and Watt, S. M. (1992) First Leaves: A Tutorial Introduction to Maple V. New York: Springer.
-
(1992)
First Leaves: A Tutorial Introduction to Maple V
-
-
Char, B.W.1
Geddes, K.O.2
Gonnet, G.H.3
Leong, B.L.4
Monagan, M.B.5
Watt, S.M.6
-
27
-
-
84944811268
-
Nomenclature and generation of three-periodic nets: The vector method
-
Chung, S. J., Hahn, Th. and Klee, W. E. (1984) Nomenclature and generation of three-periodic nets: the vector method. Acta Crystallographica, A40, 42-50.
-
(1984)
Acta Crystallographica
, vol.A40
, pp. 42-50
-
-
Chung, S.J.1
Hahn, Th.2
Klee, W.E.3
-
30
-
-
0006589268
-
Encoding and decoding hydrogen-bond patterns of organic compounds
-
Etter, M. C. (1990) Encoding and decoding hydrogen-bond patterns of organic compounds. Accounts of Chemical Research, 23, 120-126.
-
(1990)
Accounts of Chemical Research
, vol.23
, pp. 120-126
-
-
Etter, M.C.1
-
31
-
-
84903185610
-
Graph-set analysis of hydrogen-bond patterns in organic crystals
-
Etter, M. C., MacDonald, J. C. and Bernstein, J. (1990) Graph-set analysis of hydrogen-bond patterns in organic crystals. Acta Crystallographica, B46, 256-262.
-
(1990)
Acta Crystallographica
, vol.B46
, pp. 256-262
-
-
Etter, M.C.1
MacDonald, J.C.2
Bernstein, J.3
-
32
-
-
33748842545
-
Hydrogen bonds as design elements in organic chemistry
-
Etter, M. C. (1991) Hydrogen bonds as design elements in organic chemistry. Journal of Physical Chemistry, 95, 4601-4610.
-
(1991)
Journal of Physical Chemistry
, vol.95
, pp. 4601-4610
-
-
Etter, M.C.1
-
33
-
-
33645141527
-
Symmetry operations
-
corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers
-
Fischer, W. and Koch, E. (1996) Symmetry operations, In: International Tables for Crystallography, A, 793-798, corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers.
-
(1996)
International Tables for Crystallography
, vol.A
, pp. 793-798
-
-
Fischer, W.1
Koch, E.2
-
34
-
-
0003500502
-
-
Copyright (C) 1997 - by School of Mathematical and Computational Sciences University of St. Andrews, St. Andrews, UK
-
GAP - Groups, Algorithms and Programming (1999), Copyright (C) 1997 - by School of Mathematical and Computational Sciences University of St. Andrews, St. Andrews, UK (http://www-history.mcs.st-and.ac.uk/gap/).
-
(1999)
GAP - Groups, Algorithms and Programming
-
-
-
35
-
-
0003627422
-
-
Oxford: Oxford University Press and International Union of Crystallography
-
Giacovazzo, C., Monaco, H. L., Viterbo, D., Scordari, F., Gilli, G., Zanotti, G. and Catti, M. (1995) Fundamentals of crystallography. Oxford: Oxford University Press and International Union of Crystallography.
-
(1995)
Fundamentals of Crystallography
-
-
Giacovazzo, C.1
Monaco, H.L.2
Viterbo, D.3
Scordari, F.4
Gilli, G.5
Zanotti, G.6
Catti, M.7
-
36
-
-
28344432788
-
-
Amsterdam: North-Holland
-
Gimbel, J., Kennedy, J. W. and Quintas, L. V. (Eds.) (1993) Quo vadis, graph theory? Annals of Discrete Mathematics, 55. Amsterdam: North-Holland.
-
(1993)
Quo Vadis, Graph Theory? Annals of Discrete Mathematics
, vol.55
-
-
Gimbel, J.1
Kennedy, J.W.2
Quintas, L.V.3
-
37
-
-
0001190619
-
Graph-set analysis of hydrogen-bond patterns: Some mathematical concepts
-
and Acta Crystallographica, B56 (Erratum)
-
Grell, J., Bernstein, J. and Tinhofer, G. (1999) Graph-set analysis of hydrogen-bond patterns: some mathematical concepts. Acta Crystallographica, B55, 1029-1044. and Acta Crystallographica, B56 (Erratum).
-
(1999)
Acta Crystallographica
, vol.B55
, pp. 1029-1044
-
-
Grell, J.1
Bernstein, J.2
Tinhofer, G.3
-
38
-
-
0009979490
-
-
Institut für Informatik und Rechentechnik, Akademie der Wissenschaften der DDR, Germany
-
Grell, H., Krause, Ch. and Grell, J. (1988) Tables of the 80 plane space groups in three dimensions. Report No. 2, Institut für Informatik und Rechentechnik, Akademie der Wissenschaften der DDR, Germany.
-
(1988)
Tables of the 80 Plane Space Groups in Three Dimensions. Report No. 2
, vol.2
-
-
Grell, H.1
Krause, Ch.2
Grell, J.3
-
41
-
-
10444260307
-
Point groups and crystal classes
-
corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers
-
Hahn, Th. and Klapper, H. (1996) Point groups and crystal classes. In: International Tables for Crystallography, A, 751-792, corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers.
-
(1996)
International Tables for Crystallography
, vol.A
, pp. 751-792
-
-
Hahn, T.1
Klapper, H.2
-
44
-
-
0003780715
-
-
Reading: Addison-Wesley
-
Harary, F. (1971) Graph theory. Reading: Addison-Wesley.
-
(1971)
Graph Theory
-
-
Harary, F.1
-
45
-
-
0000549221
-
'Polymorphism' in a novel anti-viral agent: Lamivudine
-
Harris, R. K., Yeung, R. R., Lamont, R. B., Lancaster, R. W., Lynn, S. M. and Staniforth, S. E. (1997) 'Polymorphism' in a novel anti-viral agent: Lamivudine. Journal of the Chemical Society, Perkin Transactions 2, 2653-2659.
-
(1997)
Journal of the Chemical Society, Perkin Transactions
, vol.2
, pp. 2653-2659
-
-
Harris, R.K.1
Yeung, R.R.2
Lamont, R.B.3
Lancaster, R.W.4
Lynn, S.M.5
Staniforth, S.E.6
-
47
-
-
84951387066
-
Hydrogen bonding: An update
-
Jeffrey, G. A. (1994) Hydrogen bonding: an update. Crystallography Reviews, 4, 213-259.
-
(1994)
Crystallography Reviews
, vol.4
, pp. 213-259
-
-
Jeffrey, G.A.1
-
50
-
-
0004205783
-
-
London Mathematical Society Lecture Note Series, 22. Cambridge University Press
-
Johnson, D. L. (1976) Presentation of groups. London Mathematical Society Lecture Note Series, 22. Cambridge University Press.
-
(1976)
Presentation of Groups
-
-
Johnson, D.L.1
-
51
-
-
28344450850
-
Hydrogen-bond motifs of carboxylic acids: The β-form of cyanoacetic acid
-
Kanters, J. A., Roelofsen, G. and Straver, L. H. (1978) Hydrogen-bond motifs of carboxylic acids: the β-form of cyanoacetic acid. Acta Crystallographica, 34, 1396-1397.
-
(1978)
Acta Crystallographica
, vol.34
, pp. 1396-1397
-
-
Kanters, J.A.1
Roelofsen, G.2
Straver, L.H.3
-
55
-
-
0002893162
-
The topology of crystal structures: Invariants
-
Klee, W. E. (1987) The topology of crystal structures: Invariants. Zeitschrift für Kristallographie, 179, 67-76.
-
(1987)
Zeitschrift für Kristallographie
, vol.179
, pp. 67-76
-
-
Klee, W.E.1
-
56
-
-
0001470030
-
Graphical enumeration of hydrogen-bonded structures
-
Kuleshova, L. N. and Zorky, P. M. (1980) Graphical enumeration of hydrogen-bonded structures. Acta Crystallographica, B36, 2113-2115.
-
(1980)
Acta Crystallographica
, vol.B36
, pp. 2113-2115
-
-
Kuleshova, L.N.1
Zorky, P.M.2
-
57
-
-
0015515825
-
Precision neutron diffraction structure determination of protein and nucleic acid components. I. the crystal and molecular structure of the amino acid L-alanine
-
Lehmann, M. S., Koetzle, T. F. and Hamilton, W. C. (1972) Precision neutron diffraction structure determination of protein and nucleic acid components. I. The crystal and molecular structure of the amino acid L-alanine. Journal of the American Chemical Society, 94, 2657-2660.
-
(1972)
Journal of the American Chemical Society
, vol.94
, pp. 2657-2660
-
-
Lehmann, M.S.1
Koetzle, T.F.2
Hamilton, W.C.3
-
60
-
-
0347846098
-
Crystal and molecular structure of an amber polymorph of 4-methyl-2-nitroacetanilidc (MNA)
-
Moore, J. C., Yeadon, A. and Palmer, R. A. (1984) Crystal and molecular structure of an amber polymorph of 4-methyl-2-nitroacetanilidc (MNA). Journal of Crystallographic and Spectroscopic Research, 14, 283-291.
-
(1984)
Journal of Crystallographic and Spectroscopic Research
, vol.14
, pp. 283-291
-
-
Moore, J.C.1
Yeadon, A.2
Palmer, R.A.3
-
61
-
-
0001053038
-
Visualisation and characterisation of non-covalent networks in molecular crystals: Automated assignment of graph set descriptors for asymmetric molecules
-
Motherwell, W. D. S., Shields, G. P. and Allen, F. H. (1999) Visualisation and characterisation of non-covalent networks in molecular crystals: Automated assignment of graph set descriptors for asymmetric molecules. Acta Crystallographica, B55, 1044-1056.
-
(1999)
Acta Crystallographica
, vol.B55
, pp. 1044-1056
-
-
Motherwell, W.D.S.1
Shields, G.P.2
Allen, F.H.3
-
62
-
-
0000768911
-
Automated assignment of graph-set descriptors for crystallographically symmetric molecules
-
Motherwell, W. D. S., Shields, G. P. and Allen, F. H. (2000) Automated assignment of graph-set descriptors for crystallographically symmetric molecules. Acta Crvstallographica, B56, 466-473.
-
(2000)
Acta Crvstallographica
, vol.B56
, pp. 466-473
-
-
Motherwell, W.D.S.1
Shields, G.P.2
Allen, F.H.3
-
63
-
-
0001619960
-
Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database
-
Motherwell, W. D. S., Shields, G. P. and Allen, F. H. (2000a) Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database. Acta Crystallographica, B56, 857-871.
-
(2000)
Acta Crystallographica
, vol.B56
, pp. 857-871
-
-
Motherwell, W.D.S.1
Shields, G.P.2
Allen, F.H.3
-
65
-
-
23944494840
-
The crystal and molecular structure of β-pyrazincarboxamide
-
Ro, G. and Sørum, H. (1972) The crystal and molecular structure of β-pyrazincarboxamide. Acta Crystallographica, B28, 991-998.
-
(1972)
Acta Crystallographica
, vol.B28
, pp. 991-998
-
-
Ro, G.1
Sørum, H.2
-
66
-
-
28344435121
-
The crystal and molecular structure of δ-pyrazincarboxamide
-
Ro, G. and Sørum, H. (1972a) The crystal and molecular structure of δ-pyrazincarboxamide. Acta Crystallographica, B28, 1677-1684.
-
(1972)
Acta Crystallographica
, vol.B28
, pp. 1677-1684
-
-
Ro, G.1
Sørum, H.2
-
67
-
-
28344435498
-
Combinatorics, graph theory and computing
-
Rouvray, D. H. (1986) Combinatorics, graph theory and computing. Congressum Numerantium, 49, 161-179.
-
(1986)
Congressum Numerantium
, vol.49
, pp. 161-179
-
-
Rouvray, D.H.1
-
71
-
-
0030399839
-
C-H⋯O Hydrogen bonding in crystals
-
Steiner, Th. (1996) C-H⋯O Hydrogen bonding in crystals. Crystallography Reviews, 6, 1-57.
-
(1996)
Crystallography Reviews
, vol.6
, pp. 1-57
-
-
Steiner, Th.1
-
72
-
-
0342487463
-
The crystal structure of αpyrazinamide
-
Takaki, Y., Sasada, Y. and Watanabé, T. (1960) The crystal structure of αpyrazinamide. Acta Crystallographica, 13, 693-702.
-
(1960)
Acta Crystallographica
, vol.13
, pp. 693-702
-
-
Takaki, Y.1
Sasada, Y.2
Watanabé, T.3
-
73
-
-
28344457669
-
Crystallographic data of carboxylic acids and carboxidamides of picoline and pyrazine derrivates (Short communication)
-
Tamura, Ch. and Kuwano, H. (1961) Crystallographic data of carboxylic acids and carboxidamides of picoline and pyrazine derrivates (Short communication). Acta Crystallographica, 14, 693.
-
(1961)
Acta Crystallographica
, vol.14
, pp. 693
-
-
Tamura, Ch.1
Kuwano, H.2
-
76
-
-
0004207060
-
-
New York: Ellis Horwood
-
Trinajstić, N., Nikolić, S., Knop, J. V., Müller, W. R. and Szymanski, K. (1991) Computational chemical graph theory. New York: Ellis Horwood.
-
(1991)
Computational Chemical Graph Theory
-
-
Trinajstić, N.1
Nikolić, S.2
Knop, J.V.3
Müller, W.R.4
Szymanski, K.5
-
78
-
-
0039323271
-
Die Symmetrie ebener homogener Punktsysteme
-
Weber, L. (1929) Die Symmetrie ebener homogener Punktsysteme. Zeitschrift für Kristallographie, 70, 309-327.
-
(1929)
Zeitschrift für Kristallographie
, vol.70
, pp. 309-327
-
-
Weber, L.1
-
80
-
-
0004149831
-
-
New York: Cambridge University Press
-
Wolfram, St. (1999) The Mathematica book. New York: Cambridge University Press.
-
(1999)
The Mathematica Book
-
-
Wolfram, St.1
-
81
-
-
28344454360
-
Symmetry in crystallography
-
corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers
-
Wondratschek, H. (1996) Symmetry in crystallography. In: International Tables for Crystallography, A, 709-735, corrected reprint 1996, edited by Th. Hahn, Dordrecht: Kluwer Academic Publishers.
-
(1996)
International Tables for Crystallography
, vol.A
, pp. 709-735
-
-
Wondratschek, H.1
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