Gerald V. Gibbs
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Systematics
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(Suggest an Edit or Addition)Gerald V. Gibbs'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
- Systematics of the spinel structure type (1979) (629)
- The Crystal Chemistry of the Silicate Garnets (1971) (505)
- Molecules as models for bonding in silicates (1982) (380)
- Silica : physical behavior, geochemistry and materials applications (1994) (226)
- Interactive software for calculating and displaying X-ray or neutron powder diffractometer patterns of crystalline materials (1993) (225)
- The polymorphism of cordierite I: the crystal structure of low cordierite (1966) (196)
- The structure of zircon: A comparison with garnet (1971) (195)
- Strain-Tensor Components Expressed in Terms of Lattice Parameters (1978) (141)
- The crystal structure of synthetic titanite, CaTiOSiO 4 , and the domain textures of natural titanites (1976) (131)
- The polymorphism of cordierite; II, The crystal structure of indialite (1977) (127)
- An X-ray and neutron diffraction study of hydrous low cordierite (1977) (121)
- Correlations Between Si-O Bond Length, Si-O-Si Angle and Bond Overlap Populations Calculated Using Extended Hükel Molecular Orbital Theory (1972) (110)
- The nature and the variation in length of the Si-O and Al-O bonds in framework silicates (1969) (108)
- A crystal chemical study of stishovite (1983) (101)
- Ab-initio quantum mechanical calculations of water-rock interactions; adsorption and hydrolysis reactions (1990) (100)
- Power law relationships between bond length, bond strength and electron density distributions (1998) (92)
- Defects in amorphous silica: Ab initio MO calculations (1984) (92)
- Refinement of the crystal structure of synthetic pyrope (1965) (90)
- Crystal Structure Analysis of Synthetic Fluorophlogopite (1973) (89)
- 9 – A Comparison of Experimental and Theoretical Bond Length and Angle Variations for Minerals, Inorganic Solids, and Molecules (1981) (89)
- Ab initio calculation of interatomic force constants in H6Si2O7 and the bulk modulus of α quartz and α cristobalite (1980) (88)
- The use of molecular‐orbital calculations on model systems for the prediction of bridging‐bond‐angle variations in siloxanes, silicates, silicon nitrides and silicon suffides (1978) (84)
- High-temperature crystal chemistry of hydrous Mg- and Fe-cordierites (1979) (79)
- Variations of bond lengths and volumes of silicate tetrahedra with temperature (1992) (79)
- A study of the structural chemistry of coesite (1977) (77)
- Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1 (Be3Si6)O18 (1968) (77)
- Mechanisms of silica dissolution as inferred from the kinetic isotope effect (1990) (77)
- Molecular orbital studies of geometries and spectra of minerals and inorganic compounds (1977) (77)
- Exploration of structure, electron density distribution, and bonding in coesite with Fourier and pseudoatom refinement methods using single-crystal x-ray diffraction data (1987) (72)
- Activation energies for permeation of He and H2 through silica membranes: An ab initio calculation study (2008) (72)
- Ab initio molecular orbital calculations on phosphates: comparison with silicates (1985) (65)
- Influence of ion-associated water on the hydrolysis of Si-O bonded interactions. (2010) (65)
- Exploration of structure and bonding in stishovite with fourier and pseudoatom refinement methods using single crystal and powder X-ray diffraction data (1987) (63)
- Bond angles in disiloxane: A pseudo-potential electronic structure study (1981) (62)
- Oxygen coordination and the Si-O bond (1969) (61)
- The electron localization function: a tool for locating favorable proton docking sites in the silica polymorphs (2003) (60)
- A comparison of procrystal and ab initio model representations of the electron-density distributions of minerals (2002) (55)
- Electron density distribution and bond critical point properties for forsterite, Mg2 SiO4, determined with synchrotron single crystal X-ray diffraction data (2005) (55)
- Visualizing lithium-ion migration pathways in battery materials. (2013) (54)
- The crystal structure of topaz and its relation to physical properties (1971) (51)
- SiO and GeO bonded interactions as inferred from the bond critical point properties of electron density distributions (1998) (45)
- The crystal structures of the humite minerals. II. Chondrodite (1970) (42)
- Shared and closed-shell O-O interactions in silicates. (2008) (42)
- Cleavage in quartz (1963) (42)
- A Refinement of the Crystal Structure of Datolite, CaBSiO4(OH) (1973) (41)
- A computational quantum chemical study of the bonded interactions in earth materials and structurally and chemically related molecules (2001) (41)
- Structural and Chemical Effects on the SiKβ X-Ray Line for Silicates (1967) (41)
- Molecular mimicry of bond length and angle variations in germanate and thiogermanate crystals: a comparison with variations calculated for carbon-, silicon-, and tin-containing oxide and sulfide molecules (1987) (40)
- The structure of slawsonite, a strontium analog of paracelsian (1977) (40)
- A study of the mean-square displacement amplitudes of Si, Al, and O atoms in framework structures; evidence for rigid bonds, order, twinning, and stacking faults (1990) (39)
- Molecular mimicry of the bond length-bond strength variations in oxide crystals (1987) (39)
- A generation of framework structures for the tectosilicates using a molecular-based potential energy function and simulated annealing strategies (1999) (38)
- The elusive SiO bond (1994) (38)
- Bonded and promolecule radii for molecules and crystals (1992) (37)
- Bonded interactions and the crystal chemistry of minerals: a review (2008) (37)
- Electron density distributions calculated for the nickel sulfides millerite, vaesite, and heazlewoodite and nickel metal: a case for the importance of ni-ni bond paths for electron transport. (2005) (37)
- The crystal structures of the humite minerals: I. Norbergite (1969) (36)
- Potential docking sites and positions of hydrogen in high-pressure silicates (2003) (36)
- The SiO bond and electron density distributions (1997) (34)
- Ab initio MO calculations on cyclodisiloxanes and other Si-X-Si-X rings and the problem of silica-w (1985) (34)
- The Effect of Tetrahedral Angles on Si-O Bond Overlap Populations for Isolated Tetrahedra (1972) (34)
- Model structures and properties of the electron density distribution for low quartz at pressure: a study of the SiO bond (1999) (34)
- Bonded interactions in silica polymorphs, silicates, and siloxane molecules (2009) (33)
- Experimental bond critical point and local energy density properties determined for Mn-O, Fe-O, and Co-O bonded interactions for tephroite, Mn2SiO4, fayalite, Fe2SiO4, and Co2SiO4 olivine and selected organic metal complexes: comparison with properties calculated for non-transition and transition me (2008) (33)
- A refinement of the structure of dioptase, Cu 6 [Si 6 O 18 ].6H 2 O (1977) (32)
- AB initio studies of the kinetic isotope effect of the CH4 + OH• atmospheric reaction (1991) (32)
- Cation ordering in the tetrahedral sites of the thiospinel FeIn2S4 (indite) (1978) (32)
- The dependence of the SiO bond length on structural parameters in coesite, the silica polymorphs, and the clathrasils (1990) (31)
- A neutron-diffraction study of hemimorphite (1977) (31)
- Compression mechanisms of coesite (2003) (31)
- Bonded radii and the contraction of the electron density of the oxygen atom by bonded interactions. (2013) (30)
- A connection between empirical bond strength and the localization of the electron density at the bond critical points of the SiO bonds in silicates (2004) (30)
- Promolecule radii for nitrides, oxides, and sulfides. A comparison with effective ionic and crystal radii (1993) (30)
- Structural and chemical effects on the A1 Kβ X-ray emission band among aluminum containing silicates and aluminum oxides (1969) (29)
- An Exploration of Theoretical and Experimental Electron Density Distributions and SiO Bonded Interactions for the Silica Polymorph Coesite (2003) (28)
- Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities. (2006) (28)
- Examination of the actinolite structure and four other C2/m amphiboles in terms of double bonding (1971) (28)
- Theoretical electron density distributions for Fe- and Cu-sulfide earth materials: a connection between bond length, bond critical point properties, local energy densities, and bonded interactions. (2007) (27)
- Two independent refinements of the structure of paracelsian, BaAl 2 Si 2 O 8 (1985) (26)
- An exploratory examination of the electron density and electrostatic potential of phenakite (1987) (26)
- A Variety of Bond Analysis Methods, One Answer? An Investigation of the Element-Oxygen Bond of Hydroxides Hn XOH. (2018) (26)
- Role of directed van der Waals bonded interactions in the determination of the structures of molecular arsenate solids. (2008) (26)
- Rosenhahnite, Ca 3 Si 3 O 8 (OH) 2 ; crystal structure and the stereochemical configuration of the hydroxylated trisilicate group, [Si 3 O 8 (OH) 2 ] (1977) (25)
- Bond length and local energy density property connections for non-transition-metal oxide-bonded interactions. (2006) (25)
- Bond paths and van der Waals interactions in orpiment, As2S3. (2010) (25)
- A crystal chemical study of protoanthophyllite: orthoamphiboles with the protoamphibole structure (1998) (25)
- Atomic and ionic radii: a comparison with radii derived from electron density distributions (1997) (24)
- Insights into the crystal chemistry of Earth materials rendered by electron density distributions: Pauling’s rules revisited (2014) (24)
- Critical point properties of electron density distributions for oxide molecules containing first and second row cations (1997) (24)
- Model Structures and Electron Density Distributions for the Silica Polymorph Coesite at Pressure: An Assessment of OO Bonded Interactions (2000) (24)
- STRUCTURAL AND BOND FLEXIBILITY OF VITREOUS SiO2 FILMS (1980) (23)
- A modeling of the structure and compressibility of quartz with a molecular potential and its transferability to cristobalite and coesite (1993) (23)
- Bond stretching force constants and compressibilities of nitride, oxide, and sulfide coordination polyhedra in molecules and crystals (1994) (23)
- Effect of variations in O-P-O and P-O-P angles on P-O bond overlap populations for some selected ortho- and pyrophosphates (1973) (22)
- Silica dissolution catalyzed by NaOH: Reaction kinetics and energy barriers simulated by quantum mechanical strategies (2012) (22)
- Laplacian and bond critical point properties of the electron density distributions of sulfide bonds: A comparison with oxide bonds (1999) (21)
- Refinement of the crystal structure of osumilite (1969) (21)
- A modeling of the structure and favorable H-docking sites and defects for the high-pressure silica polymorph stishovite (2004) (21)
- Thermal expansion coefficients for monoclinic crystals; a phenomenological approach (1975) (20)
- Role of long-range intermolecular forces in the formation of inorganic nanoparticle clusters. (2011) (20)
- Molecular Orbital Calculations for Atoms in the Tetrahedral Frameworks of Zeolites (1977) (20)
- Bond length variation in TOn−4 tetrahedral oxyanions of the third row elements: T = Al, Si, P, S and Cl (1972) (20)
- Molecular mimicry of the geometry and charge density distribution of polyanions in borate minerals (1985) (19)
- A physical basis for Pauling's definition of bond strength (2003) (19)
- Bond-length and bonded-radii variations in sulfide molecules and crystals containing main-group elements: a comparison with oxides (1989) (19)
- Redetermination of the chromium position in ruby (1972) (18)
- Quantum mechanical hartree-fock potential surfaces and calculations on minerals (1991) (18)
- Calculation of bond distances, one-electron energies and electron density distributions in first-row tetrahedral hydroxy and oxyanions (1981) (18)
- Crystal structures of natural olivines Note: variety hortonolite (1968) (18)
- Resonance bond numbers: A graph-theoretic study of bond length variations in silicate crystals (1988) (18)
- The effects of extinction on the refined structural parameters of crystalline BeO: a neutron and γ‐ray diffraction study (1985) (17)
- Electron density distributions and bonded interactions for the fibrous zeolites natrolite, mesolite and scolecite and related materials (2000) (17)
- A mapping of the electron localization function for the silica polymorphs: evidence for domains of electron pairs and sites of potential electrophilic attack (2002) (16)
- SiO bonded interactions in coesite: a comparison of crystalline, molecular and experimental electron density distributions (1999) (16)
- Polymorphism and Twinning in Synthetic Fluorophlogopite (1963) (16)
- Trivalent ion hydrolysis reactions. II: Analysis of electron density distributions in metal-oxygen bonds (2002) (16)
- Molecular Mimicry of Structure and Electron Density Distributions in Minerals (1986) (16)
- The effects of heating and dehydration on the crystal structure of hemimorphite up to 600° C (1981) (15)
- Thermal expansion coefficients for indialite, emerald, and beryl (1977) (15)
- The role of the BeOSi bond in the structures of beryllosilicate minerals (1981) (15)
- A molecular orbital study of shared-edge distortions in linked polyhedra (1976) (15)
- Experimental and theoretical bond critical point properties for model electron density distributions for earth materials (2005) (15)
- A modeling of the coesite and feldspar framework structure types of silica as a function of pressure using modified electron gas methods (1988) (15)
- Si-O bonded interactions in silicate crystals and molecules: a comparison. (2006) (14)
- Tetrahedral bond length and angle variations in germanates (1977) (14)
- Variation of Si-O Distances in Olivines, Sodamelilite and Sodium Metasilicate as Predicted by Semi-Empirical Molecular Orbital Calculations (1972) (14)
- A method for calculating fractional s-character for bonds of tetrahedral oxyanions in crystals (1987) (13)
- A simple chemical view of relaxations at stoichiometric (110) surfaces of rutile-structure type oxides : A first-principles study of stishovite, SiO2 (2005) (12)
- Crystal structures of natural olivines (1968) (12)
- Mathematical crystallography : an introduction to the mathematical foundations of crystallography (1985) (11)
- Thioarsenides: a case for long-range Lewis acid–base-directed van der Waals interactions (2011) (11)
- Bonding in silicon nitrides (1985) (10)
- Comparison of the electron localization function and deformation electron density maps for selected earth materials. (2005) (10)
- Properties of atoms under pressure: bonded interactions of the atoms in three perovskites. (2012) (10)
- Mathematical Modeling of the Structures and Bulk Moduli of TX2 Quartz and Cristobalite Structure-Types, T = C,Si,Ge and X = O,S (1988) (9)
- Cl‐Kβ emission of chloromethanes and comparison with semiempirical and ab initio MO calculations (1987) (9)
- A study of the bonded interactions in nitride molecules in terms of bond critical point properties and relative electronegativities (1998) (9)
- Proto-amphibole, a new polytype (1960) (8)
- Theoretical and Experimental Charge Distributions in Euclase and Stishovite (1982) (8)
- Modeling the configuration about the nitrogen atom in methyl- and silyl-substituted amines (1988) (8)
- ELF isosurface maps for the Al2SiO5 polymorphs (2006) (7)
- Pressure impact on the structure, elasticity, and electron density distribution of CaSi2O5 (2010) (7)
- Refinement of NiYb2Be2Si2O10, a gadolinite-type structure (1975) (6)
- Molecular orbital studies of angular distortions resulting from tetrahedral edge sharing in silicon oxides, sulfides and hydrides (1976) (5)
- Cation and anion substitutions in the humite minerals (5)
- X-ray wavelengths and crystal interchange settings for wavelength geared curved crystal spectrometers. Second edition (1964) (5)
- Potential protonation sites in the Al2SiO5 polymorphs based on polarized FTIR spectroscopy and properties of the electron density distribution (2007) (5)
- Semi-empirical molecular orbital calculations for the selenate ion (1976) (4)
- A Molecular Modeling of the Bonded Interactions of Crystalline Silica (2009) (4)
- Refinement of the crystal structure of synthetic pyrope refinement D, note that temperature factors reported for Si were labelled incorrectly in the paper (1965) (4)
- Chapter 10. THE ELUSIVE SiO BOND (1994) (4)
- Physics Meets Mineralogy: Search for a Connection Among Bond Strength, Bond Length, and Electron-Density Distributions (2000) (4)
- Molecular Mimicry of Bond Length and Angle Variations in Germanate and Thiogermanate Crystals: A Comparison with Variations Calculated for C‐, Si‐, and Sn‐Containing Oxide and Sulfide Molecules (1987) (3)
- Derivation of the normalizers of the space groups (1990) (3)
- A derivation of the 32 crystallographic point groups using elementary group theory (1976) (2)
- A crystal chemical study of stishovite Locality: synthetic (1983) (2)
- Bond lengths and angles in sulfate molecules, with implications for sulfate crystals (1985) (2)
- Experimental Bond Critical Point and Local Energy Density Properties Determined for MnO , FeO , and CoO Bonded Interactions for Tephroite , Mn 2 SiO (2008) (2)
- Erratum: Defects in amorphous silica: Ab initio MO calculations [J. Chem. Phys. 81, 876 (1984)] (1985) (1)
- MATOP: an interactive FORTRAN 77 program for solving problems in geometrical crystallography (1988) (1)
- Cl-Kβ Emission of Chloromethanes and Comparison with Semiempirical and ab initio MO Calculations. (1987) (1)
- The crystal chemistry of the silicate garnets sample Mn-Gr (1971) (1)
- The incompressibility of atoms at high pressures (2020) (1)
- Pauling’s rules for oxide-based minerals: A re-examination based on quantum mechanical constraints and modern applications of bond-valence theory to Earth materials (2022) (1)
- An application of graph theory to the estimation of bond numbers in crystals (1992) (1)
- STRUCTURAL ORDERING RELATED TO CHEMICAL BONDS IN RANDOM NETWORKS (1981) (1)
- Sulfide bonded atomic radii (2017) (1)
- Exploration of Structure, Electron Density Distribution, and Bonding in Coesite with Fourier and Pseudoatom Refinement Methods Using Single‐Crystal X‐Ray Diffraction Data. (1987) (1)
- The effects of heating and dehydration on the crystal structure of hemimorphite up to 600 °C (1981) (1)
- Crystal structures of natural olivines Note: variety hyalosiderite (1968) (0)
- Molecular orbital modeling of silicon nitrides (1984) (0)
- MINERALS AND MOLECULES AND THEIR BONDED INTERACTIONS AND NEW SILICA PHASES (2019) (0)
- A Comparison of Experimental and Theoretical Bond Length and Angle Variations for Minerals, Inorganic Solids, and Molecules (Kieselsäuren; 102 Literaturangaben). (1982) (0)
- PAULING'S SECOND PRINCIPLE AND THE RADII OF BONDED ATOMS (2012) (0)
- A method for constructing and interpreting matrix representations of space-group operations (1978) (0)
- Stategy for Locating Potential Sites for Hydrogen in Minerals (2002) (0)
- 2 CONNECTION BETWEEN THE FORCE FIELD OF SILICA AND SMALL MOLECULES 2 . 1 Structural Evidence (2005) (0)
- Trivalent Ion Hydrolysis Reactions. Part 2. Analysis of Electron Density Distributions in Metal—Oxygen Bonds (2002) (0)
- Thermal expansion in clinopyroxenes (1975) (0)
- Electron Density Distributions for Millerite, Vaesite , Heazlewoodite and Ni metal: A Case for the Importance of NiNi Bond Paths for Electron Transport (2006) (0)
- LIST OF FORMER OFFICERS AND MEETING PLACES Honorary Presidents (1988) (0)
- 008-05 Isomorphism : The implications of understanding structural changes at extreme physical conditions (2006) (0)
- Ab Initio MO Calculations on Cyclodisiloxanes and Other Si - X - Si - X Rings and the Problem of "Silica-w". (1986) (0)
- Fe-S Bonded Interactions Involving High and Low Spin State Divalent Fe Atoms (2006) (0)
- Presentation of the Roebling Medal for 2007 of the Mineralogical Society of America to Gordon E. Brown Jr. (2008) (0)
- A Theoretical Study on the Dissolution Mechanisms of Forsterite (2004) (0)
- Electrolyte-promoted demineralization of biogenic, vitreous, and crystalline silica: A density functional investigation (2007) (0)
- Inexpensive crystal structure models of framework tetrahedra (1968) (0)
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