Durward William John Cruickshank
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British crystallographer
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Durward William John Cruickshankchemistry Degrees
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Analytical Chemistry
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Chemistry Physics
Why Is Durward William John Cruickshank Influential?
(Suggest an Edit or Addition)According to Wikipedia, Durward William John Cruickshank , often known as D. W. J. Cruickshank, was a British crystallographer whose work transformed the precision of determining molecular structures from X-ray crystal structure analysis. He developed the theoretical framework for anisotropic displacement parameters, also known as the thermal ellipsoid, for crystal structure determination in a series of papers published in 1956 in Acta Crystallographica.
Durward William John Cruickshank'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
- Remarks about protein structure precision. (1999) (402)
- A detailed refinement of the crystal and molecular structure of naphthalene (1957) (304)
- The crystal structure of benzene at — 3°C (1958) (301)
- 1077. The rôle of 3d-orbitals in π-bonds between (a) silicon, phosphorus, sulphur, or chlorine and (b) oxygen or nitrogen (1961) (272)
- The analysis of the anisotropic thermal motion of molecules in crystals (1956) (190)
- A detailed refinement of the crystal and molecular structure of anthracene (1956) (188)
- The recording and analysis of synchrotron X-radiation Laue diffraction photographs (1989) (181)
- A reinvestigation of the structure of sodium metasilicate, Na2SiO3 (1967) (152)
- The crystal structure of a-Na2Si2O5 (1968) (125)
- Errors in bond lengths due to rotational oscillations of molecules (1956) (123)
- A reinvestigation of the crystal structure of thortveitite Sc2Si2O7 (1962) (110)
- Experimental and theoretical determinations of bond lengths in naphthalene, anthracene and other hydrocarbons (1960) (92)
- Multiplicity distribution of reflections in Laue diffraction (1987) (87)
- The determination of the anisotropic thermal motion of atoms in crystals (1956) (86)
- The variation of vibration amplitudes with temperature in some molecular crystals (1956) (82)
- The crystal structure of hexam ethylenetetramine I. X -ray studies at 298, 100 and 34 °K (1963) (70)
- The comparison of theoretical and experimental determinations of molecular structures, with applications to naphthalene and anthracene (1953) (69)
- A refinement of the crystal structure analyses of oxalic acid dihydrate (1953) (68)
- Ab initio calculations on the silicate ion, orthosilicic acid and their L2,3 X-ray spectra (1972) (64)
- The accuracy of electron‐density maps in X‐ray analysis with special reference to dibenzyl (1949) (63)
- The crystal structure of K2SeO4 (1970) (61)
- INVESTIGATION OF THE BASIS OF THE VALENCE SHELL ELECTRON PAIR REPULSION MODEL BY AB INITIO CALCULATION OF GEOMETRY VARIATIONS IN A SERIES OF TETRAHEDRAL AND RELATED MOLECULES. (1979) (60)
- The crystal structure of (CrO3) (1970) (57)
- The accuracy of atomic coordinates derived by least‐squares or Fourier methods (1949) (54)
- Coordinate errors due to rotational oscillations of molecules (1961) (52)
- The determination of protonation states in proteins. (2007) (52)
- The crystal and molecular structure of cis-diammine-1,1-cyclobutanedicarboxoplatinum(II) [cis-Pt(NH3)2CBDCA]. Dynamic puckering of the cyclobutane ring (1985) (49)
- Molecular structures of P4O10 and P4O9 (1967) (49)
- A refinement of the crystal and molecular structures of naphthalene and anthracene (1952) (45)
- The molecular structure of Fe(CO)5 in the gas phase (1969) (45)
- Electron diffraction study of perfluorodisiloxane (1970) (45)
- On the Lattice Vibrations of Benzene, Naphthalene, and Anthracene (1958) (44)
- Angular distribution of reflections in Laue diffraction (1991) (39)
- Refinement of the structure of hemimorphite (1967) (39)
- Crystal Structure of Benzene: a New Type of Systematic Error in Precision X-Ray Crystal Analysis (1955) (37)
- A reinvestigation of the structure of Na4P2O7 (1967) (37)
- d Orbits of Sulfur (1964) (36)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. III. Na5P3O10, phase II (1964) (34)
- Quadrupole moment calculations for some aromatic hydrocarbons (1981) (34)
- A refinement of the crystal structure of pentaerythritol (1958) (32)
- Molecular structures of P4O6 and P4O8 (1969) (32)
- The required precision of intensity measurements for single‐crystal analysis (1960) (32)
- X-ray results on aromatic hydrocarbons (1962) (31)
- The structure of Vitamin B12 VI. The structure of crystals of vitamin B12 grown from and immersed in water (1964) (31)
- Three-dimensional refinement of the structure of β-succinic acid (1959) (31)
- A reassessment of dπ—pπ bonding in the tetrahedral oxyanions of second-row atoms (1985) (30)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. II. Na4P2O7.10H2O (1964) (30)
- The crystal structure of nitronium perchlorate (1960) (25)
- Refinement of the structure of NaIO4 (1970) (25)
- Parameter errors in polar space groups caused by neglect of anomalous scattering (1967) (25)
- The mosaic spread of very small crystals deduced from Laue diffraction patterns (1987) (25)
- The crystal structures of two calcium orthophosphates: CaHPO4 and Ca(H2PO4)2 · H2O (1961) (25)
- [18]‐Annulene, C18H18, structure, disorder and Hückel's 4n + 2 rule (1995) (24)
- Bonding in orthophosphates and orthosulphates (1966) (24)
- Protein precision re-examined: Luzzati plots do not estimate final errors (1996) (24)
- The crystal and molecular structure of dichloro-N,N'-ethylenebis(salicylideneiminato)titanium(IV)–tetrahydrofuran (1972) (23)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. VIII. KHSO4 (mercallite) (1964) (22)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. VI. P2O5, form III (1964) (22)
- A refinement of the structure of S3O9 (1967) (21)
- The role of d functions in ab-initio calculations: Part 1. The deformation densities of H3NSO3 and SO−3 (1985) (21)
- Electron‐density errors at special positions (1953) (21)
- A reinvestigation of sodium metagermanate (1978) (21)
- The entropy of crystalline naphthalene (1956) (20)
- A note on the structure of Na2SeO4 (1970) (20)
- The role of d functions in ab initio calculations. II. The deformation densities of SO2, NO2, and their ions (1987) (18)
- Photoelectron spectroscopy and ab initio LCAO MO SCF calculations on thiazyl fluoride (1972) (17)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. X.β‐Ca2SiO4 (1964) (17)
- Molecular structure determination by X-ray crystal analysis: modern methods and their accuracy (1953) (16)
- A re‐investigation of the crystal structure of (NH4)2CrO4 (1970) (15)
- The Interpretation of molecular wave functions: the development and application of Roby's method for electron population analysis (1982) (14)
- A reconsideration of the structure of datolite, CaBSiO4(OH) (1967) (14)
- The variation of apparent bond lengths with temperature in molecular crystals (1961) (14)
- Time-resolved macromolecular crystallography : proceedings of a Royal Society discussion meeting, held on 29 and 30 January 1992 (1992) (13)
- Revision of the Structure of SOF4 (1968) (13)
- Electronic structures of the chlorine fluorides ClF and ClF3 (1972) (13)
- The Determination of Unit-Cell Parameters from Laue Diffraction Patterns Using their Gnomonic Projections (1992) (12)
- Crystallographic calculations on the Manchester University electronic digital computer (Mark II) (1953) (12)
- Instrumentation for Laue diffraction (invited) (1989) (12)
- The crystal structure of hexamethylenetetramine II. The lattice vibrations of a simple molecular crystal (1963) (12)
- On the relations between Fourier and least‐squares methods of structure determination (1952) (10)
- Experimental and theoretical study of the electronic structures of thionyl fluoride, sulphur tetrafluoride and sulphur tetrafluoride oxide (1981) (10)
- 255. The crystal structure of ammonium trifluoroacetate (1964) (9)
- Synchrotron X-radiation protein crystallography: CEA film absorption factor as a function of wavelength 0.3≤λ≤2Å (1985) (9)
- Notes for authors; anisotropic parameters (1965) (8)
- Possible cyclic triatomic molecules including N2O and O3 (1981) (8)
- Triangular dodecahedral stereochemistry of Mo(CH3NC)4(CN)4; an X-ray study (1971) (8)
- The molecular structure of C2F4Fe(CO)3, by gas‐phase electron diffraction (1973) (8)
- Bonding in krypton difluoride (1974) (8)
- Electron diffraction investigation of gaseous perchloryl fluoride and calculation of its force field and amplitudes of vibration (1970) (7)
- An electron-diffraction investigation of gaseous perchloric acid and calculation of its skeletal force field and amplitudes of vibration (1970) (7)
- An electron-diffraction study of the molecular structure of gaseous perbromyl fluoride and calculation of its force field and vibrational amplitudes (1976) (7)
- Time-resolved macromolecular crystallography: introductory remarks and a little history (1992) (7)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. V. P4O10 (1964) (7)
- The crystal and molecular structure of 3-azidotropone (1972) (6)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. I. NaPO3NH3 (1964) (6)
- The accuracy of electron-density maps in X-ray structure analysis (1948) (6)
- The convergence of the least‐squares and Fourier refinement methods (1950) (6)
- Aspects of the History of the International Union of Crystallography (1998) (5)
- Electron population analysis and localization in simple molecules and boron compounds (1988) (5)
- Estimation of dmin, λmin and λmax from the gnomonic projections of Laue patterns (1992) (5)
- The conformation of three disilazanes (1968) (5)
- Chapter 18.5 Coordinate uncertainty (2006) (5)
- A refinement of the crystal structure of potassium imidodisulphate (1963) (5)
- A refinement of the structure of allokainic acid (1959) (5)
- International Union of Crystallography Commission on Crystallographic Computing. Standard tests for crystallographic computer programs. I. Calculations commonly used in crystal-structure analysis (1972) (5)
- Ab initio calculations of the bonding in krypton difluoride (1970) (4)
- The Accuracy of Inter-atomic Distances Obtained in Electron Diffraction Investigations of Molecular Structures. (1949) (4)
- Comparison of Theoretical and Experimental Deformation Densities in S ? O Bonds (1985) (4)
- Comments on “Vibrations in Crystalline Benzene” (1970) (4)
- Effect of neglect of dispersion in centrosymmetric structures: results for OsO4 (1973) (4)
- Ab initio molecular orbital calculations of the electronic structure of fluorosilane and fluorogermane (1971) (4)
- Semi-empirical molecular orbital calculations for the selenate ion (1976) (4)
- The crystal structure of dipotassium ethyl phosphate tetrahydrate K2(C2H5)PO4.4H2O: a problem in pseudo‐symmetry (1971) (3)
- Some relations between structure factors (1955) (3)
- Summarized proceedings of a conference on low temperature crystallography - Oxford, April 1956 (1956) (3)
- The crystal structure and atomic vibrations of 1,2-diphenyltetrafluoroethane (1959) (3)
- Laue Diffraction from Protein Crystals: Theoretical Aspects (1987) (3)
- Electron distributions and the chemical bond edited by P. Coppens and M. B. Hall (1984) (2)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. VII. (RbPO3)∞ (1964) (2)
- Crystal Structure of 2‐Hydroxy‐4,9‐methano[11]annulenone (1973) (2)
- The structural parameters of FClO3 and HClO4 (1968) (2)
- Erratum: d Orbits of Sulfur (1964) (2)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. IX. (M02+)2.S3O102− (1964) (1)
- Comment on ``Linewidth of the Exciton Absorption in Naphthalene Crystals'' (1964) (1)
- A refinement of the crystal structure of potassium hydroxylamine-N-sulphonate (1966) (1)
- Vibrational spectra and structure of silicates by A. N. Lazarev (1973) (1)
- A note on Cerrini's paper `Tensor analysis of the harmonic vibrations of atoms in crystals' (1971) (1)
- Comments on probability distributions for interatomic vectors and atomic coordinates (1954) (1)
- The design of a device for oscillating or rotating photographic plates during microdensitometry of gas-phase electron diffraction patterns (1980) (1)
- Electron density mapping in molecules and crystals edited by F. L. Hirschfeld (1979) (0)
- 1937, 1951, 1976 — progress in crystallography (1980) (0)
- Is ‘Super-Refinement’ Legitimate in X-Ray Crystal Analysis (1957) (0)
- Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution (2007) (0)
- [18]Annulene C18H18: structure, disorder and Huckel's 4n+2 rule (1993) (0)
- Thrombin-hirugen binary complex at 1.26A resolution (2007) (0)
- COMPARISON OF CALCULATED AND EXPERIMENTAL DEFORMATION ELECTRON DENSITIES IN SULFUR-OXYGEN COMPOUNDS (1985) (0)
- Use of polychromatic synchrotron X-radiation in protein crystal Laue diffraction (1987) (0)
- INVESTIGATION OF THE BASIS OF THE VALENCE SHELL ELECTRON PAIR REPULSION MODEL BY AB INITIO CALCULATION OF GEOMETRY VARIATIONS IN A SERIES OF TETRAHEDRAL AND RELATED MOLECULES (1979) (0)
- X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) (2007) (0)
- The use of optimised anomalous dispersion in protein crystallography for heavy-atom location and refinement, and reflection phasing (1984) (0)
- Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution (2007) (0)
- Refinements of structures containing bonds between Si, P, S or Cl and O or N. IV. (NH4)4P4O12 (1964) (0)
- The d orbitals of second‐row elements (2009) (0)
- The force fields of Cl2O and Cl2O7 (1966) (0)
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