CCD Charge Density Study on Crystals with Large Unit Cell Parameters: The Case of Hexagonal<scp>l</scp>-Cystine

Phase annealing in SHELX-90: direct methods for larger structures

1990 • 16,002 citations

Atoms in Molecules

1990 • 10,922 citations

On enantiomorph-polarity estimation

1983 • 10,286 citations

Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants

1993 • 3,564 citations

Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

1998 • 3,114 citations

Atomic Screening Constants from SCF Functions

1963 • 2,375 citations

THE ATOM AND THE MOLECULE.

1916 • 1,594 citations

Testing aspherical atom refinements on small-molecule data sets

1978 • 1,544 citations

The characterization of atomic interactions

1984 • 1,425 citations

The development of versions 3 and 4 of the Cambridge Structural Database System

1991 • 1,299 citations

Extinction within the limit of validity of the Darwin transfer equations. I. General formalism for primary and secondary extinction and their applications to spherical crystals

1974 • 1,036 citations

On the treatment of negative intensity observations

1978 • 964 citations

Can X-ray data distinguish bonding effects from vibrational smearing?

1976 • 710 citations

Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules

1970 • 689 citations

On the Possibility of Kinetic Energy Density Evaluation from the Experimental Electron-Density Distribution

1997 • 530 citations

Directional preferences of nonbonded atomic contacts with divalent sulfur. 1. Electrophiles and nucleophiles

1977 • 509 citations

Data Reduction and Error Analysis for Accurate Single Crystal Diffraction Intensities

1987 • 361 citations

Net atomic charges and molecular dipole moments from spherical-atom X-ray refinements, and the relation between atomic charge and shape

1979 • 337 citations

Normal probability plot analysis of error in measured and derived quantities and standard deviations

1971 • 327 citations

Experimental electron density overlapping in hydrogen bonds: topology vs. energetics

1999 • 239 citations

On Building a Data Bank of Transferable Experimental Electron Density Parameters Applicable to Polypeptides

1995 • 196 citations

Biochemistry of Sulfur

1986 • 184 citations

A systematic pairwise comparison of geometric parameters obtained by X-ray and neutron diffraction

1986 • 182 citations

Sulfur-sulfur bond lengths, or can a bond length be estimated from a single parameter?

1988 • 177 citations

Hydrogen-Bond Acceptor and Donor Properties of Divalent Sulfur (Y-S-Z and R-S-H)

1997 • 164 citations

Difference densities by least-squares refinement: fumaramic acid

1971 • 149 citations

The experimental charge distribution in sulfur containing molecules. Analysis of cyclic octasulfur at 300 and 100 K

1977 • 139 citations

Accurate Experimental Electronic Properties of DL-Proline Monohydrate Obtained Within 1 Day

1998 • 105 citations

Topological Analysis of the Experimental Electron Densities of Amino Acids. 1.<scp>d,l</scp>-Aspartic Acid at 20 K

1998 • 103 citations

Experimental charge density study of methylammonium hydrogen succinate monohydrate. A salt with a very short O-H-O hydrogen bond

1995 • 101 citations

Structure and bonding in sulfur-nitrogen compounds

1985 • 96 citations

ABSORB: An absorption correction program for crystals enclosed in capillaries with trapped mother liquor

1985 • 88 citations

The crystal structure of hexagonal<scp>L</scp>-cystine

1959 • 86 citations

The stabilization of centers with six valence electrons through electron-high three-center bonding

1968 • 84 citations

Experimental vs. theoretical topological properties of charge density distributions. An application to the l-alanine molecule studied by X-ray diffraction at 23 K

1992 • 75 citations

Topological analysis of experimental electron densities

1999 • 72 citations

V. One‐Electron Density Functions and Many‐Centered Finite Multipole Expansions

1977 • 69 citations

Electron density study of a new non-linear optical material: <scp>L</scp>-arginine phosphate monohydrate (LAP). Comparison between X–X and X–(X + N) refinements

1996 • 61 citations

The Chemical Bond

1933 • 57 citations

Quantitative comparison of theoretical calculations with the experimentally determined electron density distribution of formamide

1978 • 56 citations

Theoretical and experimental studies of the charge density in urea

1984 • 54 citations

Experimental and theoretical determination of electronic properties in <scp>L</scp>-dopa

1995 • 43 citations

The Phase Problem in the Analysis of X-ray Diffraction Data in Terms of Electron-Density Distributions

1996 • 40 citations

Nature of S ⋯· O interaction in short X –S ⋯· O contacts: charge density experimental studies and theoretical interpretation

1984 • 39 citations

Charge Density Studies Using CCD Detectors: Oxalic Acid at 100 K Revisited

1998 • 38 citations

Electron density study of the one-dimensional organic metal bis(thiodimethylene)-tetrathiafulvalene tetracyanoquinodimethane

1997 • 35 citations

Electron distributions in peptides and related molecules. 1. An experimental and theoretical study of N-acetyl-<scp>L</scp>-tryptophan methylamide

1991 • 27 citations

Some symmetry considerations concerning the role of atomic d orbitals in chemical bonds: discussion and some calculational examples

1977 • 24 citations

Experimental electron density and electrostatic properties ofpeptides by high resolution X-ray diffraction

1992 • 23 citations

Computational studies of crystalline H₃PO₄

1995 • 21 citations

Experimental and theoretical studies of the charge-density distribution in 3,3,6,6-tetramethyl-S-tetrathiane

1996 • 20 citations

Charge density study of N-acetyl-<scp>L</scp>-tyrosine ethyl ester monohydrate derived from CCD area detector data

1999 • 18 citations

Bonding in [S₂O₆]²⁻: refinement and pictorial representation from an X-ray diffraction study of Na₂S₂O₆.2H₂O and Na₂S₂O₆.2D₂O

1980 • 18 citations

Deformation density studies of thiathiophthene. 3. Theoretical studies on 2,5-dimethylthiathiophthene and 2,4-diphenylthiathiophthene

1993 • 18 citations

Deformation density study of 2,4-diphenyl-6a-thiathiophthene

1988 • 17 citations

A Test of the Suitability of CCD Area Detectors for Accurate Electron-Density Studies

1998 • 16 citations

Deformation density studies of tetramethylthiuram disulfide and tetraethylthiuram disulfide

1989 • 15 citations

XII. The Combination of Aspherical‐Atom Least‐Squares Refinements with Fourier Methods in the Study of Electron Distributions

1977 • 14 citations

Deformation-density studies of thiathiophthenes. II. 2,4-diphenyl-6a-thiathiophthene

1991 • 13 citations

Deformation-density studies of thiathiophthenes. I. 2,5-Dimethyl-6a-thiathiophthene

1990 • 13 citations

Spiro-λ4-sulfanes with O-ligands of different electronegativity in axial positions. A comparison of CH2O–SIV–OCO and CH2O–S+IV · · · OC bond systems

1997 • 12 citations

Ab initio electron density distributions in molecules containing sulfur–sulfur bonds

1993 • 12 citations

Towards extinction-free experimental diffraction data on Al₂O₃

1998 • 12 citations

X. Data Processing and Structure‐Factor Determination

1977 • 5 citations

Model deformation density studies of tetraethylthiuram disulfide

1992 • 4 citations