Knowledge Acquisition from Crystallographic Databases: Applications in Molecular Modelling, Crystal Engineering and Structural Chemistry

[1]  T. Steiner Cooperative CC–H ⋯ CC–H interactions: crystal structure of DL-prop-2-ynylglycine and database study of terminal alkynes , 1995 .

[2]  E. Starikov,et al.  Weak hydrogen bonding. Part 2. The hydrogen bonding nature of short C–H ⋯π contacts: crystallographic, spectroscopic and quantum mechanical studies of some terminal alkynes , 1995 .

[3]  F. Allen,et al.  Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. I. Cycloheptane , 1993 .

[4]  G. Desiraju,et al.  Evidence for O-H.cntdot..cntdot..cntdot.C and N-H.cntdot..cntdot..cntdot.C hydrogen bonding in crystalline alkynes, alkenes, and aromatics , 1993 .

[5]  G. Desiraju,et al.  A crystallographic scale of carbon acidity , 1992 .

[6]  Gautam R. Desiraju,et al.  The C-H.cntdot..cntdot..cntdot.O hydrogen bond in crystals: what is it? , 1991 .

[7]  Professor Dr. George A. Jeffrey,et al.  Hydrogen Bonding in Biological Structures , 1991, Springer Berlin Heidelberg.

[8]  F. H. Allen,et al.  Automated conformational analysis from crystallographic data. 6. Principal-component analysis for n-membered carbocyclic rings (n = 4, 5, 6): symmetry considerations and correlations with ring-puckering parameters , 1991 .

[9]  Owen Johnson,et al.  The development of versions 3 and 4 of the Cambridge Structural Database System , 1991, J. Chem. Inf. Comput. Sci..

[10]  Robin Taylor,et al.  Use of crystallographic data in searching for isosteric replacements: Composite crystal-field environments of nitro and carbonyl groups† , 1990 .

[11]  Frank H. Allen,et al.  Knowledge acquisition from crystallographic databases: Towards a knowledge-based approach to molecular scene analysis , 1990 .

[12]  H. Buergi,et al.  Molecular geometry of d8 five-coordination. 1. Data search, description of conformation, and preliminary statistics , 1989 .

[13]  V. Bertolasi,et al.  Evidence for resonance-assisted hydrogen bonding from crystal-structure correlations on the enol form of the .beta.-diketone fragment , 1989 .

[14]  Olga Kennard,et al.  Supplement. Tables of bond lengths determined by X-ray and neutron diffraction. Part 2. Organometallic compounds and co-ordination complexes of the d- and f-block metals , 1989 .

[15]  Gautam R. Desiraju,et al.  Crystal engineering : the design of organic solids , 1989 .

[16]  J. Dunitz,et al.  Can statistical analysis of structural parameters from different crystal environments lead to quantitative energy relationships , 1988 .

[17]  Jean-Marie Lehn,et al.  Supramolecular Chemistry—Scope and Perspectives Molecules, Supermolecules, and Molecular Devices (Nobel Lecture) , 1988 .

[18]  G. Desiraju,et al.  Correlation between crystallographic and spectroscopic properties for C-H|O bonds in terminal acetylenes , 1987 .

[19]  Olga Kennard,et al.  Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds , 1987 .

[20]  Anthony J. Stone,et al.  An intermolecular perturbation theory for the region of moderate overlap , 1984 .

[21]  Olga Kennard,et al.  Crystallographic evidence for the existence of CH.cntdot..cntdot..cntdot.O, CH.cntdot..cntdot..cntdot.N and CH.cntdot..cntdot..cntdot.Cl hydrogen bonds , 1982 .

[22]  F. H. Allen,et al.  The geometry of small rings. I. Substituent-induced bond-length asymmetry in cyclopropane , 1980 .

[23]  Jack D. Dunitz,et al.  X-Ray Analysis and the Structure of Organic Molecules , 1979 .

[24]  D. Cremer,et al.  General definition of ring puckering coordinates , 1975 .

[25]  R. Hoffmann,et al.  Valence orbitals of cyclobutane , 1971 .

[26]  R. Hoffmann The norcaradiene - cycloheptatriene equilibrium , 1970 .

[27]  M. Delbruck,et al.  Structural Chemistry and Molecular Biology , 1968 .

[28]  L. Joris,et al.  Cyclopropane rings as proton-acceptor groups in hydrogen bonding , 1968 .

[29]  D. Sutor The C–H… O Hydrogen Bond in Crystals , 1962, Nature.