Frank Harmsworth Allen

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Frank Harmsworth Allen's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

The Cambridge Structural Database: a quarter of a million crystal structures and rising. (2002) (9012)
Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds (1987) (6404)
Cambridge Structural Database (2002) (1062)
The development of versions 3 and 4 of the Cambridge Structural Database System (1991) (975)
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) (904)
The Cambridge Structural Database in retrospect and prospect. (2014) (883)
The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information (1979) (880)
Systematic analysis of structural data as a research technique in organic chemistry (1983) (866)
CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs (2004) (748)
The Nature and Geometry of Intermolecular Interactions between Halogens and Oxygen or Nitrogen (1996) (664)
Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry. (2002) (433)
The crystallographic information file (CIF) : a new standard archive file for crystallography (1991) (417)
Systematic analysis of the probabilities of formation of bimolecular hydrogen-bonded ring motifs in organic crystal structures (1999) (294)
Bond lengths in organic and metal-organic compounds revisited: X-H bond lengths from neutron diffraction data. (2010) (271)
Carbonyl-carbonyl interactions can be competitive with hydrogen bonds (1998) (267)
International Tables for Crystallography, Volume C (1992) (222)
Hydrogen-bond directionality at the donor H atom—analysis of interaction energies and database statistics (2009) (187)
The geometry of small rings. I. Substituent-induced bond-length asymmetry in cyclopropane (1980) (149)
Typical interatomic distances: organic compounds (2006) (144)
A systematic pairwise comparison of geometric parameters obtained by X-ray and neutron diffraction (1986) (138)
Hydrogen-Bond Acceptor and Donor Properties of Divalent Sulfur (Y-S-Z and R-S-H) (1997) (134)
Resonance-induced hydrogen bonding at sulfur acceptors in R1R2C=S and R1CS2- systems (1997) (128)
SUPRAMOLECULAR SYNTHONS IN CRYSTAL ENGINEERING. STRUCTURE SIMPLIFICATION, SYNTHON ROBUSTNESS AND SUPRAMOLECULAR RETROSYNTHESIS (1996) (124)
New software for statistical analysis of Cambridge Structural Database data (2011) (120)
Crystal Engineering and Correspondence between Molecular and Crystal Structures. Are 2- and 3-Aminophenols Anomalous? (1997) (119)
Knowledge-based model of hydrogen-bonding propensity in organic crystals. (2007) (115)
First Neutron Diffraction Analysis of an O−H···π Hydrogen Bond: 2-Ethynyladamantan-2-ol (1996) (107)
Research applications of the Cambridge Structural Database (CSD). (2004) (104)
Orthogonal dipolar interactions between amide carbonyl groups (2008) (103)
Knowledge-based H-bond prediction to aid experimental polymorph screening (2009) (97)
Carbonyl-carbonyl interactions stabilize the partially allowed Ramachandran conformations of asparagine and aspartic acid. (1999) (95)
The Cambridge Structural Database in Retrospect and Prospect (2014) (95)
The geometry of small rings. VI. Geometry and bonding in cyclobutane and cyclobutene (1984) (86)
Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: A systematic database analysis (1998) (84)
Comparison of conformer distributions in the crystalline state with conformational energies calculated by ab initio techniques (1996) (79)
Intramolecular hydrogen bonds: common motifs, probabilities of formation and implications for supramolecular organization. (2000) (68)
4,4-Diphenyl-2,5-cyclohexadienone: four polymorphs and nineteen crystallographically independent molecular conformations. (2002) (63)
Design of an SHG-active crystal, 4-iodo-4′-nitrobiphenyl: the role of supramolecular synthons (1997) (63)
Molecular Structures and Dimensions (1981) (62)
The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism (2012) (55)
BOND LENGTH AND REACTIVITY. VARIABLE LENGTH OF THE CARBON-OXYGEN SINGLE BOND (1984) (54)
Halogen⋯O(Nitro) Supramolecular Synthon in Crystal Engineering: A Combined Crystallographic Database and Ab Initio Molecular Orbital Study (1997) (54)
Mimicry by asx‐ and ST‐turns of the four main types of β‐turn in proteins (2004) (51)
When is a polymorph not a polymorph? Helical trimeric O–H···O synthons in trans-1,4-diethynylcyclohexane-1,4-diol (1999) (50)
The hydrogen-bond C–H donor and π-acceptor characteristics of three-membered rings (1996) (48)
The geometry of small rings. II. A comparative geometrical study of hybridization and conjugation in cyclopropane and the vinyl group (1981) (46)
The development, status and scientific impact of crystallographic databases (1998) (45)
Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity (1994) (45)
Implications of molecular and materials structure for new technologies (1999) (44)
The Cambridge Structural Database (CSD) (2006) (42)
The scientific impact of the Cambridge Structural Database: a citation‐based study (2010) (42)
The geometry of small rings—IV: Molecular geometry of cyclopropene and its derivatives (1982) (40)
Hydrogen‐Bond Acceptor Properties of Nitro‐O Atoms: A Combined Crystallographic Database and Ab Initio Molecular Orbital Study (1997) (39)
Interaction geometries and energies of hydrogen bonds to C[double bond]O and C[double bond]S acceptors: a comparative study. (2008) (38)
Acta Crystallographica Section B: Structural Science (2002) (38)
Nuclear magnetic resonance spectra of some phosphine complexes of platinum alkyls and aryls (1968) (38)
Recurring main-chain anion-binding motifs in short polypeptides: nests. (2004) (35)
CSDSymmetry: the definitive database of point-group and space-group symmetry relationships in small-molecule crystal structures. (2002) (35)
Crystallographic Databases: Search and Retrieval of Information from the Cambridge Structural Database (1994) (35)
Molecular recognition via lodo ⋯ nitro and lodo ⋯ cyano interactions: crystal structures of the 1 : 1 complexes of 1,4-diiodobenzene with 1,4-dinitrobenzene and 7,7,8,8-tetracyanoquinodimethane (TCNQ) (1994) (32)
The geometry of small rings. III. The effect of small-ring fusion on the geometry of benzene (1981) (30)
Knowledge-based approaches to crystal design (2006) (30)
Acta Crystallographica,Section B (1996) (30)
Conformational variability of molecules in different crystal environments: a database study. (2008) (30)
Systematic conformational bias in small-molecule crystal structures is rare and explicable (2012) (30)
Dipolar C[triple-bond]N...C[triple-bond]N interactions in organic crystal structures: database analysis and calculation of interaction energies. (2008) (30)
Cambridge Crystallographic Data Centre. II. Structural Data File (1973) (29)
Role of chloroform and dichloromethane solvent molecules in crystal packing: an interaction propensity study. (2013) (29)
The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds (1995) (28)
Truly prospective prediction: inter- and intramolecular hydrogen bonding (2010) (28)
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) (28)
Automated Conformational Analysis from Crystallographic Data. 4.* Statistical Descriptors for a Distribution of Torsion Angles (1991) (28)
Molecular scene analysis: the integration of direct-methods and artificial-intelligence strategies for solving protein crystal structure. (1993) (26)
Symmetry‐modified conformational mapping and classification of the medium rings from crystallographic data. IV. Cyclooctane and related eight‐membered rings (1996) (26)
Data mining of iron(II) and iron(III) bond-valence parameters, and their relevance for macromolecular crystallography (2017) (26)
Universal prediction of intramolecular hydrogen bonds in organic crystals. (2010) (25)
Phosphite and phosphonate complexes. Part II. Nuclear magnetic resonance spectra of triphenyl phosphite and dialkyl and diphenyl phosphonate complexes of rhodium, palladium, and platinum. An order of trans-influence for ligands in platinum(II) complexes (1970) (25)
The geometry of small rings—V : Geometric variations and hybridization in three-membered heretocycles C2X (X=N, O, Si, P, S) and CXY (X, Y=N, O) (1982) (24)
Applications of the Cambridge Structural Database in chemical education1 (2010) (24)
Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database. (2000) (24)
Carbonyl⋯carbonyl interactions in first-row transition metal complexes (2006) (23)
The Cambridge Crystallographic Data Centre, part 3. The unique molecule program (1974) (22)
Mimicry by asx- and ST-turns of the four main types of beta-turn in proteins. (2004) (22)
Molecular scene analysis: application of a topological approach to the automated interpretation of protein electron-density maps. (1994) (22)
New light on the mechanism of the solid state [2 + 2] cycloaddition of alkenes: a database analysis (2005) (22)
Automated Conformational Analysis from Crystallographic Data. 3.* Three-Dimensional Pattern Recognition within the Cambridge Structural Database System: Implementation and Practical Examples (1991) (21)
Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 1. An Interactive Web-Accessible Teaching Subset of the Cambridge Structural Database (2010) (21)
The Cambridge Structural Database: experimental three‐dimensional information on small molecules is a vital resource for interdisciplinary research and learning (2011) (21)
Crystal and molecular structure of thalidomide, N-(α-glutarimido)-phthalimide (1971) (21)
Automated conformational analysis from crystallographic data. 2. Symmetry‐modified Jarvis–Patrick and complete‐linkage clustering algorithms for three‐dimensional pattern recognition (1991) (21)
Phosphorus-31 nuclear magnetic resonance spectra of platinum complexes containing nonequivalent phosphorus atoms and the cis-influence (1971) (21)
Automated conformational analysis from crystallographic data. 1. A symmetry‐modified single‐linkage clustering algorithm for three‐dimensional pattern recognition (1991) (21)
Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family (2000) (20)
Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 2. Teaching Units That Utilize an Interactive Web-Accessible Subset of the Cambridge Structural Database (2010) (20)
Statistical and Numerical Methods of Data Analysis (1994) (20)
Conformational analysis from crystallographic data using conceptual clustering (1996) (19)
Molecular Scene Analysis: Crystal Structure Determination Through Imagery (1998) (19)
High-Throughput Crystallography: The Challenge of Publishing, Storing and Using the Results (2004) (19)
Trispiro[2.1.2.1.2.1]dodecane-4,8,12-trione and other oligomers of carbonylcyclopropane. The organozinc route (1989) (18)
The Molecular Information File (MIF): Core Specifications of a New Standard Format for Chemical Data (1995) (18)
The structures and absolute stereochemistry of cyclograndisolide and epicyclograndisolide, novel triterpene lactones from abies grandis (1971) (18)
Appendix A: Typical Interatomic Distances in Organic Compounds and Organometallic Compounds and Coordination Complexes of the d‐ and f‐block metals (2008) (18)
Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterization and use of generalized valence angle screens. (1991) (18)
Persistent hydrogen bonding in polymorphic crystal structures. (2009) (17)
Stereoelectronic effects at carboxylate oxygen : similar basicity of the E and Z lone pairs in solution (1991) (17)
Automated conformational analysis from crystallographic data. 5. Recognition of special positions in conformational space in symmetry‐modified clustering algorithms (1991) (17)
Energy matters! (2010) (16)
The structure of abieslactone (1971) (16)
Crystal structure of dimethyltin bisfluorosulphate (1971) (16)
Correlation of the hydrogen‐bond acceptor properties of nitrogen with the geometry of the Nsp2→Nsp3 transition in R1(X=)C–NR2R3 substructures: reaction pathway for the protonation of nitrogen (1995) (15)
The use of `connectivity' or `bonding' array in molecular geometry calculations (1969) (15)
Learning about Intermolecular Interactions from the Cambridge Structural Database (2012) (15)
Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. I. Cycloheptane (1993) (14)
Hydrogen bonding at C=Se acceptors in selenoureas, selenoamides and selones. (2016) (14)
A citation analysis of the Cambridge Crystallographic Data Centre (2001) (13)
Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems (1994) (12)
Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 3. The Cambridge Structural Database System: Information Content and Access Software in Educational Applications (2011) (12)
Conformational Analysis of Macrocyclic Ether Ligands. I. 1,4,7,10-Tetraoxacyclododecane and 1,4,7,10-Tetrathiacyclododecane (1997) (12)
General method for the description, visualization and comparison of metal coordination spheres: geometrical preferences, deformations and interconversion pathways. (2001) (12)
Computer based systems for the retrieval of data: crystallography (1977) (11)
Typical interatomic distances: organometallic compounds and coordination complexes of the d‐ and f‐block metals (2006) (11)
Teaching Three-Dimensional Structural Chemistry Using Crystal Structure Databases. 4. Examples of Discovery-Based Learning Using the Complete Cambridge Structural Database (2011) (11)
X-Ray determination of the structure of OO-dimethylipecoside (1971) (11)
Librarians, crystal structures and drug design. (2005) (11)
Quantifying the symmetry preferences of intermolecular interactions in organic crystal structures (2015) (11)
Knowledge acquisition from crystallographic databases: Towards a knowledge-based approach to molecular scene analysis (1990) (11)
Up the Garden Path: A Chemical Trail through the Cambridge University Botanic Garden (2012) (10)
X-ray studies of terpenoids. Part III. A redetermination of the crystal structure of (+)-3-bromocamphor: the absolute configuration of (+)-camphor (1971) (10)
Mapping the Geometry of Metal Three-Coordination Using Crystal Structure Data: Reaction Pathway for Ligand Addition to Linear HgII Species (2003) (10)
Automatic detection of molecular symmetry in the Cambridge Structural Database. (2001) (9)
Symmetry-modified conformational mapping and classification of the medium rings from crystallographic data. II: exo-unsaturated and heterocyclic seven-membered rings (1994) (9)
The geometry of small rings. VII. Geometric variations in bicyclo[1.1.0]butane: comparison with higher bicyclo[n.1.0]alkanes (n = 2–4) (1984) (9)
Navigating the Solid Form Landscape with Structural Informatics (2016) (9)
Structural data in a chemical context: search and research using the Cambridge Structural Database (1993) (9)
Applications of the Cambridge Structural Database in chemical educationThis paper is part of a short series celebrating the archiving of the 500 000th crystal structure to the Cambridge Structural Database in November 2009 (2010) (9)
A systematic study of coordinate precision in X-ray structure analyses. I: Descriptive statistics and predictive estimates of e.s.d.'s for C atoms (1995) (8)
Crystal and molecular structure of thalidomide (1970) (8)
Crystal and molecular structure determination through imagery (1991) (7)
Cambridge Crystallographic Data Centre. 6. Preparation and computer typesetting of the molecular structures and dimensions bibliographic volumes (1982) (7)
Symmetry‐modified conformational mapping and classification of the medium rings from crystallographic data. III. endo‐unsaturated seven‐membered rings (1994) (7)
X-ray studies of terpenoid derivatives. Part II. Crystal and molecular structure of the 1 :1 adduct of germacratriene with silver nitrate (1971) (7)
The crystal and molecular structure of 2,3,4,4a,9,9a-hexahydro-2-methyl-9-phenyl-1H-indeno[2,1-c]pyridine hydrobromide, C19H22NBr (1971) (7)
A systematic study of coordinate precision in X-ray structure analyses. II. Predictive estimates of e.s.d.'s for the general-atom case (1995) (7)
Similarity Searching in Databases of Three-Dimensional Molecules and Macromolecules. (1993) (6)
Research Applications of the Cambridge Structural Database (CSD) (2005) (6)
Crystal structure of 4-biphenylylferrocene (1970) (6)
Institutional profile: Crystal structure information in drug discovery and development: current perspectives and new possibilities from the Cambridge Crystallographic Data Centre. (2010) (6)
Structure of (–)-quinic acid (1988) (6)
3-D Searching and Numerical Analyses Applied to Files of Crystallographic Data: Methodologies, Examples, and Integration with 1-D and 2-D Techniques (1993) (6)
Angular Spectroscopy: Rapid Visualization of Three-Dimensional Substructure Dissimilarity Using Valence Angle or Torsional Descriptors (1995) (5)
Crystal engineering in the gem-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150 K. (2001) (5)
Conformation and geometry of cyclopropane rings having π-acceptor substituents: a theoretical and database study. (2011) (5)
File structures and search strategies for the Cambridge structural database (1988) (5)
Crystal structure of trichlorobis(tri-n-butylphosphine)trimethylphosphiterhodium(III) (1970) (5)
Conformational Analysis of Macrocyclic Ether Ligands. II. 1,4,7,10,13‐Pentaoxacyclopentadecane and 1,4,7,10,13‐Pentathiacyclopentadecane (1997) (5)
Crystallographic Databases and Knowledge Bases in Materials Design (1999) (5)
The crystal structure of the 1:1 adduct of germacratriene with silver nitrate (C15H24, AgNo3) (1967) (5)
The Design of a Knowledge-Based System for Crystal Structure Determination (1991) (5)
The structure of chloro-bridged rhodium(III) complexes of tri-n-butylphosphine (1971) (4)
Bond length relationships in diazo and diazonium compounds (1995) (4)
Cambridge Crystallographic Data Centre. V. An Integrated System of Printed Indexes (1980) (4)
Mining the Cambridge Structural Database for Bioisosteres (2012) (4)
Stereospecificity in the migration of a chiral phosphinoyl group to a chiral carbon atom: X-ray crystal structure determination of reagent and product (1974) (4)
The versatile role of the ethynyl group in crystal packing: an interaction propensity study. (2013) (4)
Conformational analysis of 14- and 16-membered unsaturated oxa, thia, and selena macrocyclic ligands (1997) (4)
Crystal and molecular structure of a bis-p-bromobenzoate derivative of cyclograndisolide [3α-methoxy-9,19-cyclo-9β-lanost-24-en-27,23(R)-olide] (1971) (3)
Knowledge Acquisition from Crystallographic Databases: Applications in Molecular Modelling, Crystal Engineering and Structural Chemistry (1996) (3)
Crystal structure of cis-benzocyclobutene-1,2-diol dinitrate (1970) (3)
Hydrogen-bond landscapes, geometry and energetics of squaric acid and its mono- and dianions: a Cambridge Structural Database, IsoStar and computational study. (2013) (3)
A reference list of organic structures whose absolute configurations have been determined by X-ray methods. Part 3 (1969) (3)
The crystal structure of the sesquiterpene (−)-aristolone (1973) (3)
Conformational bias in small-molecule crystal structures is rare (and explicable) (2012) (3)
The Crystal Structure and Absolute Configuration of O,O-Dimethylipecoside (1974) (3)
Systematic analysis of metal coordination sphere geometry from crystallographic data: a general method for detecting geometrical preferences, deformations and interconversion pathways (1998) (3)
The crystal structure of ?6-cholesten-3-one (1977) (3)
The Cambridge Crystallographic Database (2007) (3)
Structures of two derivatives of 1,2,4‐trioxane (1986) (3)
Crystal structure of benzocyclobutene-1,2-dione (1970) (3)
A reference list of organic structures whose absolute configurations have been determined by X-ray methods. Part 2 (1968) (3)
Stereochemical and conformational classification of the hexopyranose sugars using numerical clustering methods (1993) (3)
An Integrated Approach to 2-D and 3-D Similarity Searching for the Cambridge Structural Database (CSD) (1993) (3)
The Cambridge Structural Database System: Conformational Analysis from Crystallographic Data (1998) (3)
Crystal and molecular structure of anti-3′,4′-difluoro-2-hydroxyiminopropiophenone (1971) (3)
The Cambridge Structural Database (CSD) of Small Molecule Crystal Structures (2008) (3)
Editorial. Electronic submission and publication of structural results in Acta Crystallographica (1991) (3)
The Development of Versions 3 and 4 of the Cambridge Structural Database System. (1991) (2)
The Automated Generation of Keywords from Chemical Compound Names: Preparation of a Permuted Name Index with KWIC Layout (1977) (2)
A reference list of organic structures whose absolute configurations have been determined by X-ray methods. Part IV. 1 (1970) (2)
Use of the Cambridge Structural Database to Study Non-Covalent Interactions: Towards a Knowledge Base of Intermolecular Interactions (1998) (2)
Stereochemistry of a carbonium ion rearrangement (1974) (2)
Crystal and molecular structure of the bromoindole derivative of 3β-methoxy-21-keto-Δ13-serratene (1970) (2)
Preferred Interaction Patterns from Crystallographic Databases (1990) (2)
Carbonyl-carbonyl interactions in first-row transition metal complexes (2005) (2)
Pharmacophoric pattern matching in files of three-dimensional chemical structures: characterization and use of generalized torsion angle screens. (1991) (2)
X-ray studies of terpenoid derivatives. Part I. The crystal and molecular structure of humulene bromohydrin (1968) (2)
The structure and absolute configuration of (22R)-3β-acetoxy-5α,8α-(3,5-dioxo-4-phenyl-1H,2H-1,2,4-triazole-1,2-diyl)-24-trimethylsilylchol-6-en-23-yn-22-yl p-bromobenzoate at 279 +– 1 K (1980) (2)
Relationships Between Experiment and Theory in the Study of Intermolecular Interactions (1998) (2)
Geometry and conformation of cyclopropane derivatives having σ-acceptor and σ-donor substituents: a theoretical and crystal structure database study. (2012) (2)
Crystal and molecular structure of abieslactone, (23R)-3α-methoxy-5α,9β-lanosta-7,24-diene-26,23-lactone (1973) (2)
Cambridge Crystallographic Data Centre. IV. Preparation of "Interatomic Distances 1960-65" (1973) (2)
A reference list of organic structures whose absolute configurations have been determined by X-ray fluorescence (1966) (2)
(2RSSRS)‐3‐Methyl‐3‐phenylsulphinylbutan‐2‐ol (1976) (1)
CCDC well groomed: an interview with Colin Groom, Executive Director, Cambridge Crystallographic Data Centre, and Frank Allen, Emeritus Fellow. (2009) (1)
Applications of the Cambridge Structural Database in Organic Chemistry and Crystal Chemistry (2002) (1)
X‐ray assignments of absolute configuration: recommended practice and an appeal (1979) (1)
N-3,4-Dichlorophenyl-3-methylbutanamide (1989) (1)
Structure of sodium (–)‐shikimate dihydrate (1988) (1)
A statistical analysis of structural precision from crystallographic data (1987) (1)
Name change for AOAC (1991) (1)
Symmetry-modified mapping and classification of seven- and eight-membered ring conformations using crystallographic data (1993) (1)
Structure and reactivity in medium-ring olefins (1967) (1)
The Cambridge Structural Database in Molecular Modeling: Systematic Conformational Analysis from Crystallographic Data (1990) (1)
Analysis and use of crystallographic data (1987) (1)
A redetermination of the crystal structure of (+)-3-bromocamphor and its absolute configuration (1966) (1)
Specification of the Molecular Information File (MIF) (2006) (1)
New routes to crystallographic data publication (2008) (1)
The deposition of crystallographic results: current problems and their causes (1986) (1)
Molecular scene analysis: the integration of direct methods and artificial intelligence strategies for solving protein structures (1993) (1)
The Storage and Retrieval of Chemical Structures. (1990) (1)
Molecular structure and dimensions : guide to the literature 1935-1976, organic and organometallic crystal structures (1977) (1)
The Protein Data Bank and the Cambridge Structural Database: inter-relationships in construction and utilization (1996) (0)
Response to Comment on "The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds" (1995) (0)
1-Mesyl-4-[2-(methoxycarbonyl)ethyl]-3-(methoxycarbonyl)methyl-N,N-dimethylpyrrole-2-carboxamide (1989) (0)
Bibliography 1975–76 Organic and Organometallic Crystal Structures (1977) (0)
Current developments in the Cambridge Structural Database (1984) (0)
Structure of (–)-3-dehydroshikimic acid monohydrate (1988) (0)
A knowledge base of derived information from the Cambridge Structural Database: non-bonded interactions (1996) (0)
CIF operations and applications at the CCDC (2005) (0)
Applications of the Cambridge Structural Database in the Study of Non-Covalent Interactions (1996) (0)
Hybridization, conjugation and geometric variations in three-membered carbocycles (1981) (0)
Core dictionary (coreCIF) (2006) (0)
Trispiro(2.1.2.1.2.1)dodecane-4,8,12-trione and Other Oligomers of Carbonylcyclopropane. The Organozinc Route. (1990) (0)
The Cambridge Structural Database System and Its Applications in Supramolecular Chemistry and Materials Design (2012) (0)
Cyclohepta-3,5-dien-1-yl 3,5-Dinitrobenzoate (1995) (0)
The Nature and Geometry of Intermolecular Interactions: Combination of 3D‐Database Information with Theoretical Tools (2007) (0)
Shape information from a critical point analysis of calculated electron density maps: application to DNA‐drug systems (1995) (0)
The Development and Application of Knowledge-Based Approaches to Molecular Design (1999) (0)
True prediction of H-bonding interactions: a knowledge-based model of hydrogen-bonding propensity in organic crystals (2007) (0)
The relevance of the Cambridge Structural Database in protein crystallography (2006) (0)
CSDSymmetry: a database of point group and space group symmetry relationships in crystal structures (2002) (0)
Picking out polymorphs: H-bond prediction and crystal structure stability (2010) (0)
Detection of Molecular Symmetry in the Cambridge Structural Database (2000) (0)
X-ray structural studies of some biologically significant molecules (1968) (0)
Bibliography 1974–75 Organic and Organometallic Crystal Structures (1976) (0)
The crystal structure of 5α-ergosta-7,22-dien-3-one 2,4-dinitrophenylhydrazone at 243 K (1979) (0)
Searching for angular patterns in files of three-dimensional chemical structures (1991) (0)
Knowledge acquisition from crystallographic databases (2008) (0)
Chapter 22.5 The relevance of the Cambridge Structural Database in protein crystallography (2012) (0)
Structural Chemistry of Triple‐bonded Groups (2004) (0)
Rationalizing polymorph stability using hydrogen bonding propensities (2008) (0)
Energy versus 3D geometry – a study of intermolecular interactions using theory and experiment (2008) (0)
Carbonyl...carbonyl interactions are structurally ubiquitous and important (2005) (0)
4-Ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5, 6-tetramethylcyclohexa-2,5-dien-1-one. (2000) (0)
Promoting crystallography: using crystal structures in chemical education (2011) (0)
Molecular Information File dictionary (MIF) (2006) (0)
Aliphatic Carboxylic Acids and Their Derivatives (1983) (0)
The current status of crystallographic databases (1984) (0)
Bibliography 1973–74 Organic and Organometallic Crystal Structures (1975) (0)
Entries for Classes 1???86 (1975) (0)
International Union of Crystallography Commission on Crystallographic Data The Deposition of Crystallographic Results: Current Problems and Their Causes (1986) (0)
Seeking Structural Repetitivity in Systems with Interaction Interference: Crystal Engineering in the gem-Alkynol Family. (2010) (0)
STEREOSPECIFICITY IN THE MIGRATION OF A CHIRAL PHOSPHINOYL GROUP TO A CHIRAL CARBON ATOM, X-RAY CRYSTAL STRUCTURE DETERMINATION OF REAGENT AND PRODUCT (1974) (0)
(3S,4S)-4-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-3-methyl-2,5-dithioxopyrrolidine (1989) (0)
The crystal structure of humulene bromohydrin (1966) (0)
(1SR,SRS)-1-(1-Phenylsulphinylcyclohexyl)ethanol (1977) (0)
A systematic study of coordinate precision in X-ray structure analysis: indicators of structural precision for use with the Cambridge Structural Database (1993) (0)
Nitro oxygen⋯halogen interactions: a combined crystallographic database and ab initio molecular orbital study (1996) (0)
Analysis and Display of Information (2001) (0)
The crystal and molecular structure of 21α‐methoxy‐Δ13‐serraten‐3β‐ol: the conformation of the Δ13‐serratene system (1977) (0)

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