Philip Coppens
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Dutch-born American chemist and crystallographer
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Philip Coppens chemistry Degrees
Chemistry
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#1151
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#300
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Analytical Chemistry
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#31
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#10
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Chemistry
Philip Coppens 's Degrees
- Bachelors Chemistry University of Amsterdam
- Masters Chemical Engineering University of California, Berkeley
- PhD Chemistry Stanford University
Why Is Philip Coppens Influential?
(Suggest an Edit or Addition)According to Wikipedia, Philip Coppens was a Dutch-born American chemist and crystallographer known for his work on charge density analysis using X-rays crystallography and the pioneering work in the field of photocrystallography.
Philip Coppens '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
- Testing aspherical atom refinements on small-molecule data sets (1978) (1193)
- 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) (891)
- Calculation of absorption corrections for camera and diffractometer data (1965) (588)
- X-ray charge densities and chemical bonding (1997) (562)
- Chemical applications of X-ray charge-density analysis. (2001) (511)
- Photoinduced linkage isomers of transition-metal nitrosyl compounds and related complexes. (2002) (320)
- Anisotropic extinction corrections in the Zachariasen approximation (1970) (274)
- Net atomic charges and molecular dipole moments from spherical‐atom X‐ray refinements, and the relation between atomic charge and shape (1979) (271)
- MLCT state structure and dynamics of a copper(I) diimine complex characterized by pump-probe X-ray and laser spectroscopies and DFT calculations. (2003) (254)
- Extinction within the limit of validity of the Darwin transfer equations. III. Non-spherical crystals and anisotropy of extinction (1975) (231)
- Diffraction Studies of Photoexcited Crystals: Metastable Nitrosyl-Linkage Isomers of Sodium Nitroprusside (1997) (224)
- Crystallography and properties of polyoxotitanate nanoclusters. (2014) (204)
- The Incommensurate Modulation of the 2212 Bi-Sr-Ca-Cu-O Superconductor (1988) (202)
- Nonlinear Least‐Squares Fitting of Numerical Relativistic Atomic Wave Functions by a Linear Combination of Slater‐Type Functions for Atoms with Z = 1–36 (1998) (158)
- Extinction within the limit of validity of the Darwin transfer equations. II. Refinement of extinction in spherical crystals of SrF2 and LiF (1974) (155)
- Ab Initio Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank (2004) (151)
- Synchrotron Radiation Crystallography (1992) (142)
- Theoretical analysis of the triplet excited state of the [Pt2(H2P2O5)4]4- ion and comparison with time-resolved X-ray and spectroscopic results. (2003) (137)
- Computer analysis of step‐scanned X‐ray data (1974) (134)
- The crystalline nanocluster phase as a medium for structural and spectroscopic studies of light absorption of photosensitizer dyes on semiconductor surfaces. (2010) (132)
- Excited-state structure by time-resolved X-ray diffraction. (2002) (129)
- Comparative X-Ray and Neutron Diffraction Study of Bonding Effects in s-Triazine (1967) (123)
- Generalized relations between d-orbital occupancies of transition-metal atoms and electron-density multipole population parameters from X-ray diffraction data (1983) (113)
- A Theoretical Databank of Transferable Aspherical Atoms and Its Application to Electrostatic Interaction Energy Calculations of Macromolecules. (2007) (113)
- Binding modes of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters. (2012) (109)
- The experimental charge distribution in sulfur containing molecules. Analysis of cyclic octasulfur at 300 and 100 K (1977) (109)
- Capturing and analyzing the excited-state structure of a Cu(I) phenanthroline complex by time-resolved diffraction and theoretical calculations. (2009) (102)
- Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism. (2002) (101)
- DETERMINATION OF THE CRYSTAL STRUCTURE OF YTTRIUM ORTHOFERRITE AND REFINEMENT OF GADOLINIUM ORTHOFERRITE. (1965) (99)
- Analysis of a metastable electronic excited state of sodium nitroprusside by X-ray crystallography (1994) (98)
- Relativistic analytical wave functions and scattering factors for neutral atoms beyond Kr and for all chemically important ions up to I-. (2001) (97)
- Large polyoxotitanate clusters: well-defined models for pure-phase TiO2 structures and surfaces. (2010) (97)
- Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities (2004) (91)
- Accurate X-Ray Diffraction and Quantum Chemistry: The Study of Charge Density Distributions (1977) (91)
- Relation between geometry and charge transfer in low-dimensional organic salts (1988) (88)
- The first photocrystallographic evidence for light-induced metastable linkage isomers of ruthenium sulfur dioxide complexes. (2002) (86)
- Electronic structure of benzene chromium tricarbonyl by X-ray and neutron diffraction at 78 K (1973) (86)
- Density-optimized radial exponents for X-ray charge-density refinement from ab initio crystal calculations. (2001) (85)
- Correlation between structure- and temperature-dependent magnetic behavior of iron dithiocarbamate complexes. Crystal structure of tris(N,N diethyldithiocarbamato)iron(III) at 297.deg. and 79.deg.K (1973) (85)
- Novel structural modulation in the ambient-pressure sulfur-based organic superconductor β-(BEDT-TTF)2I3: Origin and effects on its electrical conductivity (1985) (83)
- Charge densities come of age. (2005) (83)
- Crystallography of molecular excited states. Transition-metal nitrosyl complexes and the study of transient species (1998) (82)
- The structure of short-lived excited states of molecular complexes by time-resolved X-ray diffraction. (2005) (81)
- Experimental Charge Densities and Intermolecular Interactions: Electrostatic and Topological Analysis of DL-Histidine (1999) (81)
- Six questions on topology in theoretical chemistry (2015) (81)
- Light-induced metastable linkage isomers of ruthenium sulfur dioxide complexes. (2003) (79)
- Electron density distribution in cyanuric acid. II. Neutron diffraction study at liquid nitrogen temperature and comparison of X-ray neutron diffraction results (1971) (78)
- On the evaluation of molecular dipole moments from multipole refinement of X-ray diffraction data (1999) (78)
- Experimental charge density study of dicobalt octacarbonyl and comparison with theory (1983) (78)
- Crystal and molecular structure of the aromatic sulphur compound 2,2′-bi-1,3-dithiole. Evidence for d-orbital participation in bonding (1971) (74)
- Kinetics of the single-crystal to single-crystal two-photon photodimerization of alpha-trans-cinnamic acid to alpha-truxillic acid. (2009) (73)
- On the mapping of electrostatic properties from the multipole description of the charge density. (1992) (73)
- (BEDO)2•4I3: the first robust organic metal of BEDO-TTF (1990) (73)
- Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities. (2001) (72)
- Calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning (2004) (72)
- Experimental observation of the effect of crystal field splitting on the electron density distribution of iron pyrite (1980) (71)
- On the experimental electron distribution in silicon (1974) (69)
- The First Crystallographic Evidence for Side-On Coordination of N2 to a Single Metal Center in a Photoinduced Metastable State (2000) (68)
- Ultrafast spin-state photoswitching in a crystal and slower consecutive processes investigated by femtosecond optical spectroscopy and picosecond X-ray diffraction. (2012) (67)
- Shedding light on the structure of a photoinduced transient excimer by time-resolved diffraction. (2005) (66)
- Synthesis and structure of multicomponent crystals of fullerenes and metal tetraarylporphyrins. (2002) (65)
- Direct Evaluation of the Charge Transfer in the Tetrathiafulvalene-Tetracyanoquinodimethane (TTF-TCNQ) Complex at 100°K by Numerical Integration of X-Ray Diffraction Amplitudes (1975) (65)
- Geometry changes of a Cu(I) phenanthroline complex on photoexcitation in a confining medium by time-resolved X-ray diffraction. (2004) (64)
- The crystal structure of the metastable () modification of p -nitrophenol (1965) (63)
- Combined X-ray Diffraction and Density Functional Study of [Ni(NO)(η5-Cp*)] in the Ground and Light-Induced Metastable States (1998) (62)
- The electron distribution in superconducting alloys: I. Analysis of V3Si at room temperature (1976) (61)
- Anomalous Scattering Study of the Bi Distribution in the 2212 Superconductor: Implications for Cu Valency (1989) (61)
- Electron distribution in .mu.-acetylene-bis(cyclopentadienylnickel) by low-temperature X-ray diffraction (1976) (60)
- Novel structural modulation in the first ambient-pressure sulfur-based organic superconductor (BEDT-TTF)2I3 (1985) (60)
- Experimental Electron Densities and Chemical Bonding (1977) (60)
- Trinuclear gold(I) triazolates: a new class of wide-band phosphors and sensors. (2006) (59)
- Interfacial electron transfer into functionalized crystalline polyoxotitanate nanoclusters. (2012) (59)
- Transformation of a C-methylcalix[4]resorcinarene-based host-guest complex from a wave-like to a novel triangular brick-wall architecture. (2003) (58)
- Experimental and density functional theoretical investigations of linkage isomerism in six-coordinate FeNO(6) iron porphyrins with axial nitrosyl and nitro ligands. (2006) (58)
- Solid-state structure dependence of the molecular distortion and spectroscopic properties of the Cu(I) bis(2,9-dimethyl-1,10-phenanthroline) ion. (2003) (57)
- Photoinduced oxygen transfer and double-linkage isomerism in a cis-(NO)(NO2) transition-metal complex by photocrystallography, FT-IR spectroscopy and DFT calculations. (2005) (57)
- The temperature dependence of the crystal and molecular structure of .DELTA.2,2'-bi-1,3-dithiole [TTF] 7,7,8,8-tetracyano-p-quinodimethane [TCNQ] (1976) (56)
- The interplay between experiment and theory in charge-density analysis. (2004) (56)
- A priori estimates of the errors in experimental electron densities (1976) (55)
- X-ray Diffraction Analysis of Geometry Changes upon Excitation: The Ground-State and Metastable-State Structures of K(2)[Ru(NO(2))(4)(OH)(NO)]. (1996) (55)
- Experimental, Hartree-Fock, and Density Functional Theory Investigations of the Charge Density, Dipole Moment, Electrostatic Potential, and Electric Field Gradients in L-Asparagine Monohydrate (2000) (55)
- Improving the scattering-factor formalism in protein refinement: application of the University at Buffalo Aspherical-Atom Databank to polypeptide structures. (2007) (55)
- A very large Rh-Rh bond shortening on excitation of the [Rh2(1,8-diisocyano-p-menthane)4]2+ ion by time-resolved synchrotron X-ray diffraction. (2004) (54)
- Restricted photochemistry in the molecular solid state: structural changes on photoexcitation of Cu(I) phenanthroline metal-to-ligand charge transfer (MLCT) complexes by time-resolved diffraction. (2012) (54)
- Dependence of superexchange interaction on Fe3+O2−Fe3+ linkage angle☆ (1965) (54)
- Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates. (2014) (54)
- X‐ray structure analysis of cubic tetracyanoethylene and the length of the C[triple‐bond] N bond. Application of a double‐atom refinement method (1971) (53)
- The experimental charge density in sulfur‐containing molecules. A study of the deformation electron density in sulfamic acid at 78 K by X‐ray and neutron diffraction (1977) (53)
- Formation of pyrene nano-rods within a supramolecular framework. (2003) (52)
- Direct observation of a photoinduced nonstabilized nitrile imine structure in the solid state. (2009) (52)
- Experimental electron density distributions of hydrogen bonds. High‐resolution study of α‐oxalic acid dihydrate at 100 K (1980) (51)
- Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K (1978) (51)
- Charge‐Density Analysis at the Turn of the Century (1998) (51)
- Valence electron distribution in cubic tetracyanoethylene by the combined use of X-ray and neutron diffraction (1973) (50)
- The use of synchrotron radiation in X-ray charge density analysis of coordination complexes (2005) (50)
- On the crystallography of the TTF-TCNQ salt at reduced temperatures (1974) (50)
- The crystal structure of the a-modification of p -nitrophenol near 90 K (1965) (50)
- A fast mechanical shutter for submicrosecond time-resolved synchrotron experiments. (2005) (50)
- Quantitative comparison of theoretical calculations with the experimentally determined electron density distribution of formamide (1978) (50)
- What can time-resolved diffraction tell us about transient species?: excited-state structure determination at atomic resolution. (2003) (49)
- THE CORRECTION OF REFLECTION INTENSITIES FOR INCOMPLETE ABSORPTION OF HIGH ENERGY X-RAYS IN THE CCD PHOSPHOR (2002) (48)
- An experimental determination of the asphericity of the atomic charge distribution in oxalic acid dihydrate (1969) (47)
- An unstable ligand-unsupported Cu(I) dimer stabilized in a supramolecular framework. (2005) (47)
- Neutron diffraction study of hydrogen bonding and thermal motion in deuterated α and β oxalic acid dihydrate (1969) (47)
- First Observation of Photoinduced Nitrosyl Linkage Isomers of Iron Nitrosyl Porphyrins (2000) (47)
- Electron population analysis of accurate diffraction data. I. Formalisms and restrictions (1971) (46)
- Electron Density from X-Ray Diffraction (1992) (46)
- On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. (2006) (44)
- Use of X-ray Charge Densities in the Calculation of Intermolecular Interactions and Lattice Energies: Application to Glycylglycine, dl-Histidine, and dl-Proline and Comparison with Theory (2000) (44)
- The RATIO method for time-resolved Laue crystallography. (2009) (43)
- Electron density studies of porphyrins and phthalocyanines. III. The electronic ground state of iron(II) phthalocyanine (1984) (42)
- Structure analysis of displacively modulated molecular crystals (1985) (42)
- Investigation of Zr-C, Zr-N, and potential agostic interactions in an organozirconium complex by experimental electron density analysis. (2003) (42)
- Charge density studies below liquid nitrogen temperature: X-ray analysis of p-nitropyridine N-oxide at 30 K (1976) (41)
- The `Seed‐Skewness' Method for Integration of Peaks on Imaging Plates (1995) (41)
- Does C-methylcalix[4]resorcinarene always adopt the crown shape conformation? A resorcinarene/bipyridine/decamethylruthenocene supramolecular clathrate with a novel framework structure (2000) (40)
- Structural Variation and Supramolecular Isomerism in the C-Methylcalix[4]resorcinarene/Bipyridine System (2002) (39)
- Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition. (2009) (39)
- Relativistic X‐ray elastic scattering factors for neutral atoms Z = 1–54 from multiconfiguration Dirac–Fock wavefunctions in the 0–12Å−1 sin,θ/λ range, and six‐Gaussian analytical expressions in the 0–6Å−1 range. Erratum (1997) (38)
- Photo-Induced Linkage Isomerism of Transition Metal Nitrosyl and Dinitrogen Complexes Studied by Photocrystallographic Techniques (2000) (38)
- Cu(I)(2,9-bis(trifluoromethyl)-1,10-phenanthroline)2+ complexes: correlation between solid-state structure and photoluminescent properties. (2004) (38)
- Photo-induced metastable linkage isomers of ruthenium nitrosyl porphyrins (1999) (38)
- Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate (1984) (38)
- The electron density and bonding in beryllium metal as studied by Fourier methods (1978) (37)
- Single- and double-linkage isomerism in a six-coordinate iron porphyrin containing nitrosyl and nitro ligands. (2004) (37)
- Multiple Structures in Supramolecular Solids: Benzophenone Embedded in Three Different C-Methylcalix[4]resorcinarene/bipyridine Frameworks (2001) (37)
- Time-resolved synchrotron diffraction and theoretical studies of very short-lived photo-induced molecular species. (2010) (37)
- Electron population analysis of accurate diffraction data. II. Application of one-center formalisms to some organic and inorganic molecules (1971) (37)
- Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks (2004) (36)
- Molecular Complexes of Fullerenes C60 and C70 with Saturated Amines (2002) (36)
- Charge density analysis of the (C-C)-->Ti agostic interactions in a titanacyclobutane complex. (2009) (36)
- The Gram-Charlier and multipole expansions in accurate X-ray diffraction studies: can they be distinguished? (1988) (35)
- Multiple conformations of benzil in resorcinarene-based supramolecular host matrixes. (2003) (35)
- Molecular Excited-State Structure by Time-Resolved Pump−Probe X-ray Diffraction. What Is New and What Are the Prospects for Further Progress? (2011) (35)
- Combined X-ray single-crystal and neutron powder refinement of modulated structures and application to the incommensurately modulated structure of Bi2Sr2CaCu2O8+y (1993) (35)
- The development of Laue techniques for single-pulse diffraction of chemical complexes: time-resolved Laue diffraction on a binuclear rhodium metal-organic complex. (2011) (34)
- The experimental charge-density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide. (2000) (34)
- How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles? (2015) (34)
- Some implications of combined X‐ray and neutron diffraction studies (1974) (34)
- Charge density studies below liquid nitrogen temperature. II. Neutron analysis of p‐nitropyridine N‐oxide at 30 K and comparison with X‐ray results (1976) (34)
- Estimation of reduction and standard potentials of acyl radicals (1993) (34)
- Effect of the environment on molecular properties: synthesis, structure, and photoluminescence of Cu(I) bis(2,9-dimethyl-1,10-phenanthroline) nanoclusters in eight different supramolecular frameworks. (2006) (32)
- The description and analysis of composite crystals (1991) (32)
- The incommensurate modulation in the Bi2Sr2−xCaxCuO6 superconductor, and its relation to the modulation in Bi2Sr2−xCaxCu2O8 (1989) (32)
- Structure and photoluminescence of a benzil nanocolumn in a C-methylcalix[4]resorcinarene-based framework. (2004) (31)
- Experimental charge densities in chemistry: what is next? (1989) (31)
- The use of a polarized hydrogen atom in X-ray structure refinement (1972) (30)
- The Two‐Channel Maximum‐Entropy Method Applied to the Charge Density of a Molecular Crystal: α‐Glycine (1996) (30)
- ELECTRONIC GROUND STATE OF IRON(II) PHTHALOCYANINE AS DETERMINED FROM ACCURATE DIFFRACTION DATA (1983) (30)
- On the photochemical behavior of the [Ru(NH3)4(NO)nicotinamide]3+ cation and the relative stability of light-induced metastable isonitrosyl isomers of Ru complexes. (2000) (29)
- Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials. (2006) (29)
- A Low-temperature Phase Transition in s-Triazine (1968) (29)
- On the correction of reflection intensities recorded on imaging plates for incomplete absorption in the phosphor layer. (1998) (29)
- The nature of the AgI...AgI interaction in different Ag(NH3)2 dimers embedded in supramolecular solids. (2007) (29)
- On the refinement of time-resolved diffraction data: comparison of the random-distribution and cluster-formation models and analysis of the light-induced increase in the atomic displacement parameters. (2005) (29)
- The new photocrystallography. (2009) (28)
- Supramolecular solids as a medium for single-crystal-to-single-crystal E/Z photoisomerization: kinetic study of the photoreactions of two Zn-coordinated tiglic acid molecules. (2008) (28)
- Direct observation of the binding mode of the phosphonate anchor to nanosized polyoxotitanate clusters. (2013) (28)
- Dependence of the Intermolecular Electrostatic Interaction Energy on the Level of Theory and the Basis Set. (2006) (28)
- A neutron diffraction study of 2‐nitrobenzaldehyde and the C–H⋯O interaction (1964) (28)
- New study of the structure of MnAl6 (1981) (28)
- Single-crystal-to-single-crystal E --> Z isomerization of tiglic acid in a supramolecular framework. (2007) (27)
- Finding optimal radial-function parameters for S atoms in the Hansen-Coppens multipole model through refinement of theoretical densities. (2006) (27)
- On the design of ultrafast shutters for time-resolved synchrotron experiments. (2007) (27)
- Multitemperature Resonance-Diffraction and Structural Study of the Mixed-Valence Complex [Fe(3)O(OOCC(CH(3))(3))(6)(C(5)H(5)N)(3)]. (1998) (27)
- Luminescence Quenching and Energy Transfer in Supramolecular Solids (2005) (27)
- Instrumentation for photocrystallographic experiments of transient species. (2000) (26)
- Electron density studies of porphyrins and phthalocyanines. 7. Electronic ground state of bis(pyridine)(meso-tetraphenylporphinato)iron(II) (1988) (26)
- On the Biexponential Decay of the Photoluminescence of the Two Crystallographically-Independent Molecules in Crystals of [Cu(I)(phen)(PPh3)2][BF4]. (2013) (26)
- Supramolecular solids and time-resolved diffraction (2006) (25)
- Rotation of real spherical harmonics (1994) (25)
- X‐ray diffraction analysis of o‐nitrobenzaldehydes (1964) (25)
- A novel manganese-doped large polyoxotitanate nanocluster. (2014) (25)
- Joint X-ray and neutron data refinement of structural and charge density parameters (1981) (25)
- Experimental measurements of the X‐ray scale factor for charge density studies (1975) (25)
- X-ray diffraction study of the electronic ground state of (meso-tetraphenylporphinato)iron(II) (1990) (25)
- A Large Manganese-doped Polyoxotitanate Nanocluster: Ti14MnO14(OH)2(OEt)28 (2013) (24)
- Syntheses, structures, photoluminescence and theoretical studies of xanthone in crystalline resorcinarene-based inclusion complexes. (2005) (24)
- LASER – a program for response-ratio refinement of time-resolved diffraction data (2010) (24)
- About the Coulomb potential in crystals. (1990) (24)
- The experimental charge distribution in sulfur-containing molecules. A study of the deformation density in NH4SCN at 81 K by combined X-ray and neutron diffraction (1977) (24)
- Nanosized alkali-metal-doped ethoxotitanate clusters. (2013) (24)
- Structure and properties of a new κ-phase organic metal: (BEDT-TTF)2Cu2(CN)3 (1991) (24)
- Electron density studies of porphyrins and phthalocyanines. 5. Electronic ground state of iron(II) tetraphenylporphyrin bis(tetrahydrofuran) (1986) (24)
- Experimental electron density distribution of sodium hydrogen diacetate. Evidence for covalency in a short hydrogen bond (1977) (23)
- Time-resolved Laue diffraction of excited species at atomic resolution: 100 ps single-pulse diffraction of the excited state of the organometallic complex Rh2(μ-PNP)2(PNP)2·BPh4. (2011) (23)
- Ligand-unsupported Au(I) chains with short Au(I)...Au(I) contacts. (2006) (23)
- Single-crystal x-ray analysis of an electronic excited state: the structure determination of a metastable state of sodium nitroprusside (1993) (23)
- Experimental and theoretical electron density analysis of metal-metal bonding in dichromium tetraacetate (1980) (23)
- On the nature of the lowest triplet excited state of the [Rh 2(1,3-diisocyanopropane)(4)]2+ ion. (2004) (23)
- Intramolecular Glycosidation: Stereocontrolled Synthesis of alpha-Glucosides from a 2-O-Alkoxysilyl Thioglucoside. (1993) (23)
- On the choice of d-orbital coordinate system in charge-density studies of low-symmetry transition-metal complexes. (2003) (23)
- Calculation of dynamic electron density distributions from static molecular wave functions (1977) (23)
- The crystal and molecular structure of a non-alternant hydrocarbon: heptafulvalene (1972) (23)
- Relating structure and photoelectrochemical properties: electron injection by structurally and theoretically characterized transition metal-doped phenanthroline-polyoxotitanate nanoparticles. (2014) (23)
- Valence electron distribution in perdeuterio-alpha-glycylglycine. A high-resolution study of the peptide bond. (1975) (22)
- Static and time-resolved photocrystallographic studies in supramolecular solids (2008) (22)
- Shedding light on the photochemistry of coinage-metal phosphorescent materials: a time-resolved Laue diffraction study of an Ag(I)-Cu(I) tetranuclear complex. (2014) (22)
- On the Calculation of the Lattice Energy of Ionic Crystals using the Detailed Electron-Density Distribution. I. Treatment of Spherical Atomic Distributions and Application to NaF (1995) (22)
- Single-crystal-to-single-crystal E-->Z and Z-->E isomerizations of 3-chloroacrylic acid within the nanocavities of a supramolecular framework. (2007) (22)
- New investigation of the structure of Mn4Al11 (1980) (22)
- Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004). (2004) (22)
- Data scaling and temperature calibration in time-resolved photocrystallographic experiments. (2010) (22)
- The ϕ Extent of the Reflection Range in the Oscillation Method According to the Mosaicity-Cap Model (1997) (22)
- The experimental charge distribution in sulfur‐containing molecules. Structure determination and electron density study of NaSCN at reduced temperatures (1977) (21)
- A modified pinkerton-type helium gas-flow system for high-accuracy data collection at the X3 SUNY synchrotron beamline at NSLS (2001) (21)
- Concepts of Charge Density Analysis: The Experimental Approach (1982) (21)
- New Opportunities in Synchrotron X-ray Crystallography (1987) (21)
- The crystal structure of potassium O,O-dimethylphosphorodithioate (1962) (21)
- On the Analysis of Reversible Light-Induced Changes in Molecular Crystals (1998) (21)
- Valence contrast by synchrotron resonance scattering: Application to a mixed-valence manganese compound (1992) (20)
- X-Ray diffraction and the charge distribution in transition metal complexes (1985) (20)
- Structure analysis of modulated crystals. III. Scattering formalism and symmetry considerations: extension to higher-dimensional space groups (1988) (20)
- Relation between bonding and the substitution-dependent geometry of a number of dicobalt hexacarbonyl acetylene complexes (1984) (20)
- Errors in electron density maps and the use of integrated densities in the study of charge density distributions (1968) (19)
- Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents (2002) (19)
- Charge densities and bond orders for zero differential overlap wavefunctions: Comparison with ab-initio calculations and diffraction results (1971) (19)
- Electronic structure of metalloporphyrins. II: Experimental electron density distribution of (meso-tetraphenylporphinato)iron(III) methoxide (1983) (19)
- Chemical Applications of X-Ray Charge-Density Analysis (2001) (19)
- Constrained Excited-State Structure in Molecular Crystals by Means of the QM/MM Approach: Toward the Prediction of Photocrystallographic Results (2010) (19)
- Room- and Low-Temperature Crystallographic Study of the Ambient Pressure Organic Superconductor (Bisethylene dithiotetrathiofulvalene)4Hg2.89Br8 (1998) (19)
- About the simultaneous interpretation of charge and spin density data (1985) (18)
- Crystal engineering, solid state spectroscopy and time-resolved diffractionBased on the presentation given at CrystEngComm Discussion, 29th June?1st July 2002, Bristol, UK. (2002) (18)
- The elimination of multiple reflection on the four-circle diffractometer (1968) (18)
- The four-dimensional, incommensurately modulated, composite crystal structure of (Bi, Sr, Ca)10Cu17O29 at 292 and 20 K refined including satellite reflections (1993) (18)
- Electron density studies of porphyrins and phthalocyanines. IV. Electron density distribution in crystals of (meso-tetraphenylporphinato) iron(II) (1986) (18)
- Competitive isomerization and dimerization in co-crystals of 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol and sorbic acid: a new look at stereochemical requirements for [2+2] dimerization. (2008) (18)
- Normalization factors for spherical harmonic density functions (1988) (17)
- Application of charge density methods to a protein model compound: Calculation of Coulombic intermolecular interaction energies from the experimental charge density (2002) (17)
- Crystallography in four and five dimensions as applied to multi-sublattice (composite) structures (1995) (17)
- Electron population analysis of accurate diffraction data. IV. Evaluation of two‐center formalisms in least‐squares refinement (1972) (17)
- Electrochemical insertion of lithium into the Bi2Sr2CaCu2O8+y high-Tc superconductor (1992) (17)
- Introductory lecture: Time-resolved chemistry at atomic resolution. (2003) (17)
- The LaueUtil toolkit for Laue photocrystallography. I. Rapid orientation matrix determination for intermediate-size-unit-cell Laue data. (2011) (17)
- The structure factor (2006) (17)
- A manganese-doped polymeric framework of polyoxotitanate nanoclusters with a narrow band gap. (2013) (16)
- Charge-density analysis of the ground state of a photochromic 1,10-phenanthroline zinc(II) bis(thiolate) complex. (2010) (16)
- Rearrangement of carbohydrate epoxides to acetals using a hemiacetal neighbouring group (1993) (16)
- Novel Low Temperature Modulated Structure of the Ambient Pressure Superconductor (BEDT-TTF)2I3 and a Design Strategy for New Superconducting Polyhalide Phases (1985) (16)
- New methods in time-resolved Laue pump–probe crystallography at synchrotron sources (2015) (16)
- Electron Population Parameters from Least-Squares Refinement of X-ray Diffraction Data (1970) (16)
- Synthesis of [11C]- and (13C)-cyanogen bromide, useful electrophilic labelling precursors (1993) (16)
- Synthesis, crystal structure and photoconductivity of the first [60]fullerene complex with metal diethyldithiocarbamate: {CuII(dedtc)2}2.C60. (2005) (15)
- Electron density distribution of the azide ion. Quantitative comparison of theoretical calculations with experimental measurements (1977) (15)
- Symmetry Mismatching as a Tool in the Synthesis of Complex Supramolecular Solids with Multiple Cavities (2004) (15)
- The LaueUtil toolkit for Laue photocrystallography. II. Spot finding and integration. (2012) (15)
- Refinement of metal d-orbital occupancies from X-ray diffraction data (1979) (15)
- Synthesis of cyclic hydroxamic acids by oxidation of secondary amines with dimethyldioxirane (1993) (15)
- Time-resolved diffraction in chemistry and materials science: The developing field of photocrystallography (1997) (15)
- VIII. What Systems Can Be Studied, Have Been Studied, and Should Be Studied? (1977) (15)
- Electron Distributions and the Chemical Bond (2011) (15)
- An optimized procedure for the reductive amination of acetophenone by the Leuckart reaction (1993) (14)
- Crystallography at 0·3 Å; single‐crystal study of Cr(NH3)6Cr(CN)6 at the Cornell high‐energy synchrotron source (1986) (14)
- Valence electron distribution in perdeuterio-α-glycylglycine. A high-resolution study of the peptide bond (1975) (14)
- Synthesis and spectroscopic properties of 13C- and 15N-labelled tert-butoxycarbonylglycines (1993) (14)
- Application of two different aspherical-atom formalisms to low-temperature diffraction data on pyridinium-1-dicyanomethylide (C8D5N3) (1982) (14)
- Evaluation of Sternheimer Nuclear Quadrupole Shielding Functions and their Application to the Determination of the 57Fem Nuclear Quadrupole Moment from X‐ray‐Determined Charge Densities (1996) (14)
- The chair conformation of C-methylcalix[4]resorcinarene in a novel, stepped, supramolecular framework (2001) (13)
- The synthesis of (S)-1-methyl-3-phenylpropylamine by inversion of amines (1993) (13)
- Structure of bis(pyridine)(5,10,15,20-tetraphenylporphyrinato)iron(II)–pyridine solvate, [Fe(C44H28N4)(C5H5N)2].2C5H5N (1985) (13)
- Three-fold interpenetrating three-dimensional networks based on C-methylcalix[4]resorcinarene incorporating benzophenone guest molecules. (2003) (13)
- Temperature Dependence of the Electron Transfer in a Mn(II)Mn(III)(&mgr;-OH) Mixed-Valence Manganese Complex. (1996) (13)
- Photochemical [2 + 2] Cycloadditions. IV. Cycloaddition of 2-Cyclopentenone to Some (omega--1)-Alken-1-ols; Evidence for Regioselectivity due to Hydrogen Bonding. (1993) (13)
- Paper Emission quenching of photoactive molecules embedded in supramolecular solids: Synthesis, structure and photoluminescence studies of benzil in a CMCR-based inclusion complex with a saturated linker molecule{ (2005) (13)
- Optimizing the accuracy and precision of the single-pulse Laue technique for synchrotron photo-crystallography. (2010) (13)
- Hot Hole Hopping in a Polyoxotitanate Cluster Terminated with Catechol Electron Donors (2016) (13)
- The structure of a tetranuclear metal cluster with a four-coordinate carbide carbon atom: bis(benzyltrimethylammonium) μ-carbido-dodeca-carbonyl-tetrahedro-tetraferrate (1981) (13)
- Theoretical Analysis of the Triplet Excited State of the [Pt2(H2P2O5)4] 4‐ Ion and Comparison with Time‐Resolved X‐Ray and Spectroscopic Results (2003) (13)
- Structural Aspects of Iodine-Containing Low-Dimensional Materials (1982) (13)
- Unexpected Lack of Stereoselectivity in the Horner--Wadsworth--Emmons Reaction when Applied to the Synthesis of (E)- and (Z)-Methyl alpha-Arylcinnamates. (1993) (13)
- Composite Crystals: What Are They and Why Are They so Common in the Organic Solid State? (1990) (13)
- Application of the selective atom diffraction method to the cation distribution in high Tc bismuth cuprates (1991) (13)
- Evidence for systematic errors in X‐ray temperature parameters resulting from bonding effects (1968) (13)
- Photoinduced Linkage Isomers of Transition‐Metal Nitrosyl Compounds and Related Complexes (2002) (12)
- Errors in the Calculated Structure Factors Caused by the Free-Atom Form Factor Model* (1969) (12)
- On the assessment of time-resolved diffraction results. (2014) (12)
- The `Seed-Skewness' Method for Integration of Peaks on Imaging Plates II. Analysis of Bias Due to Finite Size of the Peak Mask and Treatment of α1-α2 Splitting (1997) (12)
- Synthesis and crystal structure of a C60 complex with a bis(ethylenedithio)tetrathiafulvalene radical cation salt: (BEDT-TTF-I3)C60 (2000) (12)
- A Fully Ordered Phase of the Mixed Valency Complex of Trimethylamine with 7,7,8,8 Tetracyano-p-quinodi-methane and Iodine (1980) (12)
- XII. The Combination of Aspherical-Atom Least-Squares Refinements with Fourier Methods in the Study of Electron Distributions (1977) (12)
- Synthesis and crystal structure of a new supramolecular complex: [(ZnTPP)2Prz]·C60·5.34C7H8·0.66C6H5CN (2003) (12)
- A kHz heat-load shutter for white-beam experiments at synchrotron sources. (2007) (11)
- Closed-cycle helium cryostat mount for the Huber 511.1 diffractometer circle (1991) (11)
- Synthesis, Crystal Structure, and Optical Properties of a New Molecular Complex of C60 with a Covalently Linked (FeIIITPP) 2O Dimer (2003) (11)
- On R factors for dynamic structure crystallography. (2010) (11)
- A novel scoop-shaped conformation of C-methylcalix[4]resorcinarene in a bilayer structure. (2002) (11)
- The effect of asymmetry of the atomic charge distribution on the positions of terminal atoms as determined with X-rays (1967) (11)
- Molecular reorientation in an electric field as studied by single-crystal X-ray diffraction (1992) (11)
- Magnetism, Spectroscopy and Structure of Tri-mu-hydroxobis{[N,N',N''-trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III)} Chloride Tetrahydrate. (1993) (11)
- Determination of nuclear positions from X‐ray data by a double‐atom refinement method (1971) (11)
- Excitons and excess electrons in nanometer size molecular polyoxotitanate clusters: electronic spectra, exciton dynamics, and surface states. (2013) (11)
- A new tetranuclear iron(III) complex with an [Fe4O2] core: synthesis, structure and Mössbauer studies of [Fe4(μ3‐O)2(μ‐O2CCH3)6Cl2(3‐Mepy)4].CH3C=N (3‐Mepy = 3‐methylpyridine) (1993) (11)
- A cryostat for collection of three‐dimensional diffractometer data at liquid helium temperatures (1974) (10)
- Electronic structure of metalloporphyrins. 2. Experimental electron density distribution of (meso-tetraphenylporphinato)iron(III) methoxide (1984) (10)
- Benzene ring distortion in benzenechromium tricarbonyl, as determined by X-ray and neutron diffraction analyses at 78 K (1972) (10)
- Space partitioning and the effects of molecular proximity on electrostatic moments of the crystalline formamide molecule (1980) (10)
- AGREEMENT BETWEEN TRANSITION-METAL ORBITAL POPULATIONS FROM X-RAY AND POLARIZED NEUTRON-SCATTERING EXPERIMENTS (1982) (10)
- Electron population analysis of accurate diffraction data. III. Application of one- and two-center formalisms to tetracyanoethylene oxide (1972) (10)
- Low-temperature structure of nonacarbonyl-μ3-chloromethylidyne-tri-μ-hydrido-triangulo-triruthenium (1982) (10)
- A liquid-nitrogen temperature study of the pyrene-d8–tetracyanoethylene charge-transfer complex (1975) (10)
- Incommensurate modulations in the lead-doped bismuth strontium calcium copper oxide 221 superconducting phase: a five-dimensional superspace description (1990) (9)
- Perspective: On the relevance of slower-than-femtosecond time scales in chemical structural-dynamics studies (2015) (9)
- The structure of nonacarbonyl‐μ3‐methylidyne‐triangulo‐tricobalt. X‐ray and neutron diffraction studies (1981) (9)
- The crystal and molecular structure of [N,N′-di(2-aminoethyl)malondiamidato]nickel(II)trihydrate (1972) (9)
- Anisotropic atom–atom potentials from X-ray charge densities: application to intermolecular interactions and lattice energies in some biological and nonlinear optical materials (2000) (9)
- Structure analysis of modulated molecular crystals. V: Symmetry restrictions for one-dimensionally modulated crystals (1988) (9)
- Low-temperature electron density study of thiotrithiazyl nitrate, a structure with a short contact between an oxygen atom and the disulfide group (1980) (9)
- Synthesis of 1,2-bis(3,4-dimethoxyphenyl)-1,3-propanediol starting from trans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone (1993) (9)
- Electron density in the water molecule in α-oxalic and dihydrate and the nature of short hydrogen bonds (1979) (9)
- Synthetic routes to nitroamino percursors of the food carcinogen 2-amino-1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridine and its 3-methyl isomer via Pd(0)-catalyzed arylation (1993) (9)
- Two novel bis(2,9-dimethyl-1,10-phenanthroline)copper(I) complexes: [Cu(dmp)2]2(PF6)2.0.5(bpmh).CH3CN and [Cu(dmp)2][N(CN)2]. (2005) (9)
- Apparatus for the measurement of the electronic excited-state structure of single crystals using X-ray diffraction (1994) (9)
- Structural Relationship Between Two Polymorphic Forms of β‐Naphthol (1965) (9)
- Light-Induced Metastable Linkage Isomers of Transition Metal Nitrosyls (1999) (9)
- Degree of Electron Transfer in Some Nucleophilic Reactions Determined by Activation Parameters. (1993) (9)
- Crystallographic studies of one-dimensional polyiodide conductors. 2. Benzophenone polyiodide complexes (1983) (9)
- Continuously variable mercury-sulfur coordination in the low-dimensional organic metal (BEDT-TTF)Hg0.776(SCN)2 and its description by the bond valence sum method (1991) (8)
- Debromination of Meso- and (+-)-1,2-Dibromo-1,2-diphenylethane by 9-Substituted Fluorenide Ions. Correlation between Stereochemical Results and Redox Potentials. (1993) (8)
- Synthesis, properties and radical cations salts of non-centrosymmetrical tetrathiafulvalenes derived from 1,3,5,7-tetrathia-s-indacene (1993) (8)
- DFT calculations of light‐induced excited states and comparison with time‐resolved crystallographic results (2005) (8)
- Synthesis, properties and use of nitridotricarbonic acid tri-tert butyl ester (1993) (8)
- Kinetics of the Single-Crystal to Single-Crystal Two-Photon Photodimerization of r-trans-Cinnamic Acid to r-Truxillic Acid (2009) (8)
- Fitting atomic scattering factors to molecular charge distributions (1976) (8)
- Anamalous-scattering contrast study of the mixed-valence charge-density-wave conductor NbSe3 (1993) (8)
- Effect of solvent on the complexation and thermal stability of benzenediazonium tetrafluoroborate in the presence of crown ethers (1993) (8)
- Response to Spackman's comment on On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model (2007) (8)
- The crystal structure of sodium sulfanilate dihydrate (1975) (7)
- Crystal Structure of the Incommensurately Modulated Nd-Containing Bi-2222 Phase (1994) (7)
- X‐Ray Diffraction and Atomic Dipole Moments (1964) (7)
- X-Ray crystal structure of lithium azide monohydrate, and net atomic charges as obtained by the extended L-shell method (1971) (7)
- An antiscatter device for low‐temperature crystallographic experiments with imaging plates (1994) (7)
- Selective time-dependent changes of Cu(DPPE)(DMP)·PF6on photoexcitation (2014) (7)
- Pseudomolecular Electrostatic Potentials From X-Ray Diffraction Data (1981) (7)
- The 20 K structure of p-amino-p′-nitrobiphenyl in the non-constraining environment of its β-cyclodextrin inclusion complex (1999) (7)
- Photochemical nitration by tetranitromethane. X: A possible addition/elimination pathway to trinitromethylaromatic compounds (1993) (7)
- BEDT-TTF-based synmetal: Synthesis, structure, ESR, and electrical properties of (BEDT-TTF)Hg0.776(SCN)2 (1991) (7)
- Closed‐form expressions for Fourier–Bessel transform of Slater‐type functions (1990) (7)
- The dramatic development of X-ray photocrystallography over the past six decades (2017) (7)
- Symmetry induced supramolecular assembly of a resorcinarene trimeric molecular box. (2004) (7)
- On the Crystal Structures of the Low-dimensional Clover Phases: Low Temperature Structure of (Benzophenone)4 (Lil5) and Comparison with (Benzophenone)9 (KI)2I7CHCI3 (1981) (7)
- Algal Carotenoids. 55. Structure Elucidation of (3S,5R,6R,3'S,5'R,6'S)-13'-cis-7',8'-Dihydroneoxanthin-20'-al 3'-beta-D-Lactoside (P457). Part 1. Reisolation, Derivatization and Synthesis of Model Compounds. (1993) (7)
- Potentially aromatic thiophenium ylides. V: Reactions of ethoxycarbonyl- (and methoxycarbonyl)- 2-(2-thienyl)phenylcarbene (1993) (7)
- Ionic Displacements and Piezoelectric Constants of AgGaS2 from X-Ray Diffraction of a Crystal in an External Electric Field (1993) (7)
- Crystal Structure of Ammonium Diaquadioxalatooxoniobate(V) Dihydrate, NH4[NbO(C2O4)2(H2O)2].(H2O)2. (1993) (6)
- Heptafulvalene: ring strain or hydrogen repulsion? (1973) (6)
- An optical chopper for generation of short X-ray pulses to allow in-house time-resolved photocrystallography (2014) (6)
- Electronic and molecular structure of the composite organic metal (BO)2.4I3 (1991) (6)
- Simulating impedance spectra from a mechanistic point of view: diffusion effects in metal dissolution reactions (1993) (6)
- Advances in structure research by diffraction methods edited by W. Hoppe and R. Mason (1977) (6)
- Intramolecular Repulsions in Substituted Aromatic Molecules (1962) (6)
- Structure and conductivity of a new phase of 3,4;3',4'‐bis(ethylenedithio)‐2,2',5,5'‐tetrathiafulvalene hexafluorophosphate: γ‐(BEDT‐TTF)2PF6 (1992) (6)
- XI. Overcoming the Free‐Atom Bias with Modified Least‐Squares Formalisms (1977) (6)
- Measuring picosecond excited-state lifetimes at synchrotron sources. (2012) (6)
- Molecular and crystal structures of two chelating agents for use in MRI contrast agents (1993) (6)
- EFFECT OF HYDROGEN REDUCTION ON THE STRUCTURE AND CONDUCTIVITY OF YBA2CU3OY (1991) (6)
- Combining X-Ray and Neutron Diffraction: The Study of Charge Density Distributions in Solids (1978) (6)
- Analysis of Multi-Wave Molecular Displacements in Modulated Crystals (1985) (6)
- Analysis of charge and spin densities (2006) (6)
- X-ray charge density study of p-amino-p′-nitrobiphenyl at 20 K using a CCD area detector and synchrotron radiation: a very large dipole moment enhancement in the solid state (1999) (6)
- Search for satellite reflections and low‐temperature study of the 1223 and 2212 Tl–Ba–Ca–Cu–O superconductors (1989) (6)
- A priori checking of the light-response and data quality before extended data collection in pump–probe photocrystallography experiments (2017) (6)
- Rutile-Type Mn(1-x)Sb(1+x)O4 Phases, 0 <= x <= 1/3, Synthesized by the Sol--Gel Technique. (1993) (5)
- Structure of thiotrithiazyl nitrate (S4N3+NO3-): Evidence for a triangular arrangement with short contacts between an oxygen atom and the disulfide group (1978) (5)
- Structure of di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] di-μ-iodo-bis[diiodocadmate(II)], (BEDT-TTF)2[Cd2I6] (1991) (5)
- (Tetrahydroborato)bis(triphenylphosphine)copper(I): a redetermination at 90 K (2005) (5)
- {4,4′-Bis[p-(diethylamino)-α-styryl]-2,2′-bipyridine}tricarbonylchlororhenium(I) (2001) (5)
- Crystal structure of the double salt (H3 tacn) trans-[Ir(H2O)4 Cl2] (SO4)2 (tacn = 1,4,7-triazacyclononane) (1993) (5)
- Charge Distribution in the Light-Atom Mineral Kernite (1972) (5)
- Modulated structure of an 800 Å epitactic film of the superconductor Bi2Sr2CaCu2O8 as studied by synchrotron radiation (1991) (5)
- Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C60 (1998) (5)
- Electrochemical Simulations. Part 15. Advanced Orthogonal Collocation Techniques in Problem Situations of the ECcat Mechanism. (1993) (5)
- Crystal structure of a tricyclic product from the oxidation of 4,5,6-trichloroguaiacol with periodate (1993) (5)
- Analysis of multicrystal pump-probe data sets. I. Expressions for the RATIO model. (2014) (5)
- Can we deconvolute electron density changes from the dominant influence of the atomic rearrangement on molecular excitation in time-resolved diffraction studies? (2016) (5)
- Molecular complexes of fullerene C60 with aromatic hydrocarbons: Crystal structures of (TPE)2C60 and DPA·C60 (2003) (5)
- Synthesis of new acyclic nucleosides (1993) (5)
- Analysis of multicrystal pump-probe data sets. II. Scaling of ratio data sets. (2016) (5)
- Recommendations of the Ad hoc committee on criteria for publication of charge density studies (1984) (4)
- Synthesis of the Four Stereoisomers of 4,5-Dihydroxy-N,N,N-trimethylhexanaminium Iodide (Muscaridin) from Aldonolactones. (1993) (4)
- Studies on potassium thiocyanatoplatinates. II: Crystal structure of potassium hexathiocyanatoplatinate(IV) dihydrate, K2Pt(SCN)6.2H2O (1993) (4)
- On the scaling of multicrystal data sets collected at high-intensity X-ray and electron sources (2015) (4)
- Low-temperature study of bis(2-methylimidazole)(octaethylporphinato)iron(III) perchlorate (1987) (4)
- Two Analogous Azamacrocyclic Compounds of Cobalt(III) and Rhodium(III) Containing Pendent Metal--Carbon Bonds. Synthesis and Comparison by NMR and X-Ray Structure Determinations. (1993) (4)
- Linkage Isomerization in Nitrosothiols (RSNOs): The X-ray Crystal Structure of an S-nitrosocysteine and DFT Analysis of its Metastable MS1 and MS2 Isomers (2016) (4)
- Normalization factors for Kubic harmonic density functions (1994) (4)
- Relative stability of cyclic olefins. II. Calculations on 1-, 3-, and 4-methyl-substituted cyclenes (1965) (4)
- On the use of Fourier methods in the analysis of composite structures (1993) (4)
- Structure of modulated molecular crystals. VI: Lattice-energy analysis of the modulated phase of thiourea (1989) (4)
- Absolute Intensities and the Chemical Objectives of Charge Density Studies by Diffraction Methods (1972) (4)
- Hydrogen-bond quenching of photodecarbonylation in the solid state and recovery of reactivity by co-crystallization. (2007) (4)
- The Past and Future of Experimental Charge Density Analysis (1991) (4)
- Structure of ζ‐(BEDT‐TTF)2PF6.C4H8O2 (1992) (3)
- A comparison of analytical and numerical methods for the evaluation of the absorption correction in crystal structure analysis (1967) (3)
- Solid-state spectroscopic properties and the geometry of binuclear rhodium(I) diisocyanoalkane complexes. (2004) (3)
- Chapter 1.2 The structure factor (2010) (3)
- Structure of ε-(BEDT-TTF)PF6 (1992) (3)
- Computerised pulse-radiolysis system for gas-phase kinetics (1993) (3)
- A device for low-temperature crystal reorientation in data collection with the oscillation method (1998) (3)
- XIV. Static Versus Dynamic Densities (1977) (3)
- Diffraction Studies of the Chemical Bond (1969) (3)
- Organic metals of bis(ethylenedioxy)tetrathiafulvalene (BEDO-TTF) (1991) (3)
- On the evaluation of integrals useful for calculating the electrostatic potential and its derivatives from pseudo-atoms (1994) (3)
- Direct observation of the excited state structure of a Ag(I)-Cu(I) complex (2014) (3)
- Exploring the structural changes on excitation of a luminescent organic bromine-substituted complex by in-house time-resolved pump-probe diffraction (2017) (3)
- Structure of (BEDT-TTF)2N(CN)2 (1992) (3)
- The use of carbon-composite cryostat chambers in low-temperature X-ray diffraction (1993) (3)
- The change in the X-ray dipole moment as a quantitative measure of the polarizing effect of the molecular environment: application to a complex of p-amino-p′-nitrobiphenyl with triphenylphosphine oxide (1999) (3)
- The influence of an external electric field on the X-ray scattering of 2-methyl-4-nitroaniline, an organic crystal with nonlinear optical properties (1989) (3)
- Crystal Structure of Manganese Cyclopentadienide (1964) (3)
- Real‐Time Crystallography of Photoinduced Processes in Supramolecular Framework Solids (2011) (3)
- Structure--Stability Relationships in Unsaturated Sulfur Compounds. III. A Thermodynamic and 13C NMR Spectroscopic Study of the Conformations of Vinyl Sulfones. (1993) (3)
- An optical chopper for generation of short X-ray pulses to allow in-house time-resolved photocrystallography. Corrigendum (2014) (2)
- Hydrolytic properties of the triaqua[N,N',N''-trimethyl-1,1,1-tris(aminomethyl)ethane]chromium(III) ion [Cr(Me3-tame)(H2O)3]3+. Crystal structure of [(Me3-tame)Cr(H3O2)3Cr(Me3-tame)](CF3SO3)3 with three short hydrogen bonds connecting the two mononuclear units (1993) (2)
- Crystal structure of tetrakis[3,4;3',4'-bis(propylenedithio)-2,2',5,5'-tetra thiafulvalenium] nonabromotrimercurate, (C12H12S8)4(Hg2Br6)HgBr3 (1997) (2)
- First steps towards time-resolved 'in-house' X-ray diffraction experiments (2014) (2)
- Experimental Charge Densities in Solids and their Significance for Theoretical Calculations (1975) (2)
- Thermal Smearing and Chemical Bonding (1980) (2)
- Errata Photoinduced Linkage Isomers of Transition-Metal Nitrosyl Compounds and Related Complexes (Chem. Rev. 2002, 102 (4), 861−884. Published on the Web February 13, 2002). (2002) (2)
- Bonding in 1,2,3-triazoles. VII: Effects of N-substitution. Ab initio calculations on model systems (1993) (2)
- Analysis of the diffraction pattern of a twinned crystal of (3,4;3',4'‐bis(ethylenedioxo)‐2,2',5,5'‐tetrathiafulvalene)2.Ag(CN)2 (1995) (2)
- Microwave and Ab Initio Study of the Conformational Properties of 3-Furanmethanol. (1993) (2)
- New Molecular Complex of Fullerene C60 with Porphyrin Dimer [FeTPP]2O: Synthesis and Crystal Structure (2005) (2)
- (C24H20P)2[Mo6Cl14] (1994) (2)
- Structure of (BEDT-TTF)4[Hg2Br6].THF (1994) (2)
- Use of a Joule‐Thomson Refrigerator for Neutron Diffraction at Liquid Nitrogen Temperatures (1967) (2)
- Phospholipid transphosphatidylation catalysed by cabbage phospholipase D in emulsion systems (1993) (2)
- Structure and conductivity of a new phase of di[3,4;3',4'‐bis(ethylenedithio)‐2,2',5,5'‐tetrathiafulvalenium] dichlorocuprate(I); β‐(BEDT‐TTF)2CuCl2 (1991) (2)
- Electrostatic Properties of Molecules from the X-Ray Charge Density. Application to Deuterated Benzene, 1-Alanine and d,l-Histidine (1993) (2)
- The Nature of the AgI · · · AgI Interaction in Different Ag ACHTUNGTRENNUNG ( NH 3 ) 2 Dimers Embedded in Supramolecular Solids (2007) (2)
- Incommensurate modulations in the Pb-doped BiSrCaCuO 221 superconducting phase: A five-dimensional superspace description (1990) (2)
- The Cholic Acid-Methanol-Water Inclusion Complex (1998) (2)
- Structure of (methanesulfonato)(meso-tetraphenylporphinato)iron(III)–chloroform (1/1) (1987) (2)
- Structure of (BEDT-TTF)4Hg2I6(I8) (1992) (2)
- Improvement of a lineatin synthesis (1993) (2)
- The Use of Imaging Plates in Electron-Density Mapping with Synchrotron X-rays. (1995) (2)
- The old and the new: my participation in the development of chemical crystallography during 50+ years (2015) (2)
- Crystal structure of di[bis(ethylenedithio)tetrathiafulvalene] dicopper tricyanide, (C10H8S8)2Cu2(CN)3 (1997) (1)
- Crystallographic studies of one-dimensional polyiodide conductors 3. Structure of non-stoichiometric coumarin-iodine complexes by X-ray analysis and exafs☆ (1986) (1)
- Structure Analysis of Modulated Molecular Crystals. III. Scattering Formalism and Symmetry Considerations: Extension to Higher-Dimensional Space Groups (1988) (1)
- Disordered crystal structure of 2,11-dithia[3.3]metaparacyclophane (1993) (1)
- Engineering crystals for excited state diffraction studies : Structure and spectroscopic properties of two polymorphic modifications of the 4,4'-dihydroxybenzophenone/ 4,13-diaza-18-crown-6 complex (1999) (1)
- A comparison of serial and imaging-plate data collection: the low-temperature charge density of dl-histidine (1996) (1)
- A Phase Transition Hidden in Higher Dimensions (2008) (1)
- Ligand-tuning of the Excitation Wavelength of a Solid State E/Z Isomerization: (Zn(TA)2(2,2-bipyridyl)) in a Supramolecular Framework (2009) (1)
- Identification by X-Ray Methods of 6(R)-Acetoxy-2(S)-methoxy-1(R),5(R)-3,7,8-trioxabicyclo[3.2.1]octane. A New Compound Isolated after Periodate Oxidation of Methyl alpha-D-Xylopyranoside in Dimethyl Sulfoxide Followed by Acetylation. (1993) (1)
- Friedel's law and non-centrosymmetric space groups (1995) (1)
- Crystal structure of tetramethyltetraselenafulvalene nitrate, (C10H12Se4)NO3 (1997) (1)
- The temperature dependence of the reflection intensities of the modulated composite structure Hg0.776(BEDT-TTF)SCN (1994) (1)
- X-Ray Diffraction Study of the Electronic Ground State of (meso- Tetraphenylporphinato)iron(II). (1991) (1)
- Modified counterweights and beamstop for the Huber 512 and 511.1 four‐circle diffractometers (1991) (1)
- Molecular complexes of fullerene C 60 with aromatic hydrocarbons (2003) (1)
- Low-temperature structure of N-methylphthalazinium bis(7,7,8,8-tetracyano-p-quinodimethanide) (1987) (1)
- Crystal structure of tetramethyltetraselenafulvalene nitrate, (C10H12Se4)NO3 (1997) (1)
- (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline)(tetrahydroborato)copper(I): a redetermination at 90 K (2006) (1)
- O--H Bond Dissociation Free Energies of Hydroquinone and the Corresponding Radical Anion, Monoanion and Free Radical in Dimethyl Sulfoxide Solution. (1993) (1)
- ELECTRON DISTRIBUTION IN μ-ACETYLENE-BIS(CYCLOPENTADIENYLNICKEL) BY LOW-TEMPERATURE X-RAY DIFFRACTION (1976) (1)
- The Four-Dimensional, Incommensurately Modulated, Composite Crystal Structure of (Bi, Sr, Ca)10Cu17O29 at 292 and 20 K Refined Including Satellite Reflections. (1994) (1)
- Time‐resolved capabilities at the advanced photon source (2003) (1)
- Rotation of spherical harmonics. Erratum (1995) (1)
- Time‐Resolved Synchrotron Diffraction and Theoretical Studies of Very Short‐Lived Photoinduced Molecular Species (2011) (1)
- Reply To: How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles--A Comment on the Band Gap Determination of the Fe(II) Cages. (2016) (1)
- Structure and conductivity of di[3,4;3'4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] tetrabromomercurate(II)-1,1,2-trichloroethane, (BEDT-TTF)2HgBr4.TCE (1990) (1)
- Time-resolved X-ray Analysis of the Excited State of the Cu ( I ) ( dmp ) ( diphos ) + Complex at Atomic Resolution (2004) (0)
- ACA symposium on synchrotron crystallography (1990) (0)
- Drug-substrate interactions from a theory-based databank of transferable pseudoatoms and potential curves derived from advanced theoretical calculations. (2005) (0)
- Crystal structure of di[bis(ethylenedithio)tetrathiafulvalene] dicopper tricyanide, (C10H8S8)2Cu2(CN)3 (1997) (0)
- A Multiwavelength Monochromator for the X3A1 Fixed-Angle Station at the National Synchrotron Light Source. (1995) (0)
- (X-ray diffraction experiments with condenser matter) (1990) (0)
- Fleeting Excited States by Synchrotron and In-House Pump-Probe Diffraction (2014) (0)
- Single-pulse Laue TR diffraction: methods, results and use of QM/MM theory (2011) (0)
- Electron Density Studies of Porphyrins and Phthalocyanines. Part 7. Electronic Ground State of Bis(pyridine)(meso-tetraphenylporphinato)iron(II). (1988) (0)
- Time-resolved chemistry at atomic resolution (2002) (0)
- THE CRYSTAL STRUCTURE OF THE ALPHA-MODIFICATION OF P-NITROPHENOL NEAR 90 DEGREES K. (1965) (0)
- SUNY beamline facilities at the National Synchrotron Light Source (Final Report) (2003) (0)
- Charge density study of methylidyne tricobalt nonacarbonyl – direct and reciprocal space analyses (1981) (0)
- STRUCTURE OF DELTA -(BEDT-TTF)PF6 (1992) (0)
- The Use of Synchrotron Radiation and its Promise in Charge Density Research (1991) (0)
- CCDC 767793: Experimental Crystal Structure Determination (2010) (0)
- Electron-density mapping in hemoglobin model systems: comparison charge densities in several iron porphyrins and phthalocyanines (1984) (0)
- Charge density studies of transition metal atom containing solids (1981) (0)
- Thermal vibrations in crystallography by B. T. M. Willis and A. W. Pryor (1975) (0)
- Embedded in Supramolecular Solids (2007) (0)
- Electron-density distribution of Fe(Phen)2(NCS)2using the synchrotron radiation light source (1996) (0)
- A simple device for increasing the accessibility of reciprocal space in low‐temperature area‐detector experiments (1995) (0)
- Ligand-Unsupported Au(I) Chains with Short Au(I)×××Au(I) Contacts. (2006) (0)
- Electron Density Studies of Porphyrins and Phthalocyanines. Part 5. Electronic Ground State of Iron(II) Tetraphenylporphyrin Bis(tetrahydrofuran). (1987) (0)
- Time-resolved photocrystallography of short-lived molecular excited states (2005) (0)
- Time-resolved diffraction at atomic resolution: what's here now and what's next? (2008) (0)
- Charge density of Ni ( MePh 2 ) 2 ( C 6 F 5 ) 2 ( 1 ) and the energy density in the NiC bond (2008) (0)
- Comment on On the calculation of the electrostatic potential , electric field and electric field gradient from the aspherical pseudoatom model by Volkov , King , Coppens & Farrugia ( 2006 ) (2007) (0)
- X-ray diffraction studies of the charge-density in porphyrins: mesotetraphenylporphinatobis(tetrahydrofuran)ironII (1984) (0)
- Proceedings of the symposium on "Experimental and Theoretical Studies of Electron Densities" at University of New Mexico, Albuquerque, New Mexico, April 4-5, 1972 (1972) (0)
- Time-resolved study of molecular crystals with anomalously short Br...Br contacts (2017) (0)
- X-ray diffraction analysis of geometry changes on excitation: the ground-state and excited-state structures of K2[Ru(NO2)4(NO)(OH)] (1996) (0)
- Structure and Photoluminescence of a Benzil Nanocolumn in a C‐Methylcalix[4]resorcinarene‐Based Framework. (2004) (0)
- Analyses of net atomic changes in transition metal carbonyls by a polyhedral space partitioning technique (1981) (0)
- The haunted site of VAl10.4: high resolution study of an unusual vanadium aluminide (1981) (0)
- Charge-density study of nonlinear optical crystals: LBO, BBO and KB5 (1996) (0)
- Resonance scattering studies of mixed-valence manganese complexes (1996) (0)
- CCDC 178257: Experimental Crystal Structure Determination (2002) (0)
- Valence contrast studies on mixed-valence inorganic and metallorganic solids (1993) (0)
- Low-temperature single-crystal diffraction at the SUNY X3 beamline at the National Synchrotron Light Source (1996) (0)
- Catching a peak by the tail: intensity correction for the finite size of the 'seed-skewness' peak mask (1996) (0)
- Compact monochromator for the multipurpose X3 synchrotron beamline at NSLS (1995) (0)
- Novel Structural Modulation in the Ambient-Pressure Sulfur-Based Organic Superconductor β-(BEDT-TTF)2I3: Origin and Effects on It′s Electrical Conductivity. (1986) (0)
- Charge density of Ni(MePh2)2(C6F5)2 (1) and the energy density in the Ni—C bond (2008) (0)
- Ionic Displacements and Piezoelectric Constants of AgGaS 2 from X-Ray Diffraction of a Crystal in an External Electric Field. (1990) (0)
- CCDC 703230: Experimental Crystal Structure Determination (2010) (0)
- construction and maintenance of SUNY facilities at the National Synchrotron Light Source. Progress report, 1 October 1980-30 September 1981 (1981) (0)
- ELEC:TRON DENSITY FROM X-RAlY DIFFRACTION (1992) (0)
- Charge density studies of [Cu(bite)](BF4) (2002) (0)
- Crystal structure of tetrasulfur tetranitride (S4N4) at 120 K Locality: synthetic Note: T = 120 K (1978) (0)
- Application of the theory of atoms in molecules in the critical analysis of the experimental charge density model (2000) (0)
- High-Resolution Crystallographic Studies of Chemical Reactions and Electron Distributions in Solids (2011) (0)
- Vacuum compatible, high speed air bearing chopper (2010) (0)
- Real vs. Reciprocal Space Analysis of Electron Densities (1980) (0)
- Multi-Sublattice (Intergrowth) Structures and the Design of Functional Solids (1999) (0)
- Advanced Crystallographic Methods: Experimental Electron Densities and the Study of Excited State Structure (1999) (0)
- Di-μ-nitrosyl-bis[(η5-pentamethylcyclopentadienyl)ruthenium(0)](Ru—Ru). Corrigendum (2010) (0)
- Absolute Crystal Structure of C9H1204 Determined by Three-Beam Scattering (1989) (0)
- BEDT-TTF-Based Synmetal: Synthesis, Structure, ESR, and Electrical Properties of (BEDT-TTF)Hg0.776(SCN)2. (1991) (0)
- SUNY beamline facilities at the National Synchrotron Light Source) (1992) (0)
- (BEDO)2.4I3: The First Robust Organic Metal of BEDO-TTF. (1990) (0)
- Charge-density studies of transition metal sulfides (1996) (0)
- Time-resolved and charge-density studies at ChemMatCARS (2005) (0)
- Electron transfer reactions in organic chemistry. XXII: Kinetics and products of reactions between hexachloroosmate(V) and tetraalkylstannanes and benzyltrimethylsilanes (1993) (0)
- Crystal structure of di[bis(ethylenedithio)tetrathiafulvalene] bromide trihydrate, (C10H8S8)2Br 3H2O (1997) (0)
- Stroboscopic time-resolved diffraction at atomic resolution (2002) (0)
- Crystal structure of di[bis(ethylenedithio)tetrathiafulvalene] bromide trihydrate, (C10H8S8)2Br 3H2O (1997) (0)
- Structure Analysis of Modulated Molecular Crystals IV: Survey of our Recent Studies (1989) (0)
- Synchrotron Radiation Crystallography. Academic Press, London‐San Diego‐New York‐Boston‐Sydney‐Tokyo‐Toronto 1992. 316 p. $ 97.00. ISBN 0‐12‐188080‐X (1993) (0)
- Corrigendum: Reply To: How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles-A Comment on the Band Gap Determination of the Fe(II) Cages. (2016) (0)
- [Development and use of a liquid-helium cryostat]. Final report, June 15, 1969--June 14, 1972 (1973) (0)
- The Study of Light-Induced Transient Species by Crystallographic Methods (2000) (0)
- EXPERIMENTAL ELECTRON DENSITY AND CHEMICAL BONDING (1977) (0)
- An ultra-fast mechanical shutter for sub-microsecond time-resolved experiments (2005) (0)
- Structural changes upon electrochemical insertion of lithium into the Bi2Sr2CaCuO8+y high Tc superconductor (2008) (0)
- Time-Resolved Diffraction and Theoretical Studies on the Structure and Bonding of Molecular Excited States (2006) (0)
- EXPERIMENTAL CHARGE DENSITY ANALYSIS ON MODIFIED COUMARINS: TOPOLOGICAL PROPERTIES (0)
- Electron density and bonding in crystals by V. G. Tsirelson and R. P. Ozerov (1997) (0)
- CCDC 782726: Experimental Crystal Structure Determination (2010) (0)
- Structural Complications in Superconducting Solids: Chemical Disorder, Structural Modulation, and Low Temperature Phase Transitions in the Bi-Sr-Ca Cuprates (1990) (0)
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