SiO and GeO bonded interactions as inferred from the bond critical point properties of electron density distributions
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R. Downs | G. V. Gibbs | F. Hill | M. B. Boisen | O. Tamada | O. Tamada
[1] G. V. Gibbs,et al. A study of the bonded interactions in nitride molecules in terms of bond critical point properties and relative electronegativities , 1998 .
[2] G. V. Gibbs,et al. Critical point properties of electron density distributions for oxide molecules containing first and second row cations , 1997 .
[3] Samuel A. Johnson,et al. Study of Bond Angles and Bond Lengths in Disiloxane and Related Molecules in Terms of the Topology of the Electron Density and Its Laplacian. , 1997, Inorganic chemistry.
[4] G. V. Gibbs,et al. The SiO bond and electron density distributions , 1997 .
[5] L. Benco,et al. Ab initio periodic Hartree-Fock study of lizardite IT , 1996 .
[6] J. W. Downs. Electron Density and Electrostatic Potential of Coesite , 1995 .
[7] S. Q. Newton,et al. Choice of computational techniques and molecular models for ab initio calculations pertaining to solid silicates , 1994 .
[8] M. Boisen,et al. Bond stretching force constants and compressibilities of nitride, oxide, and sulfide coordination polyhedra in molecules and crystals , 1994 .
[9] W. H. Baur,et al. Natrolite, part II: Determination of deformation electron densities by the X-X method , 1994 .
[10] L. C. Allen. Chemistry and electronegativity , 1994 .
[11] W. Schwarz,et al. Electron Density Distributions and Atomic Charges , 1993 .
[12] R. Downs,et al. Variations of bond lengths and volumes of silicate tetrahedra with temperature , 1992 .
[13] T. Hahn,et al. Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2 at elevated pressure , 1992 .
[14] J. W. Downs,et al. The Laplacian of the electron density and the electrostatic potential of danburite, CaB2Si2O8 , 1992 .
[15] P. D'arco,et al. Pseudopotential Periodic Hartree‐Fock Study of the Cristobalite Phases of Silica and Germanium Dioxide , 1992 .
[16] C. Gatti,et al. 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 .
[17] J. V. Lenthe,et al. H6Si2O7: Ab initio molecular orbital calculations show two geometric conformations , 1991 .
[18] Martins,et al. Electronic properties of alpha -quartz under pressure. , 1991, Physical review. B, Condensed matter.
[19] Dieter Cremer,et al. The Concept of the Chemical Bond , 1990 .
[20] Leland C. Allen,et al. Electronegativity is the average one-electron energy of the valence-shell electrons in ground-state free atoms , 1989 .
[21] A. Navrotsky. Silicates and germanates at high pressure , 1989 .
[22] J. Gauss,et al. Strain in three-membered rings containing silicon: The inability of silicon to form flexible hybrid orbitals , 1988 .
[23] R. J. Boyd,et al. Atomic and group electronegativities from the electron density distributions of molecules , 1988 .
[24] G. V. Gibbs,et al. 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 .
[25] M. Boisen,et al. A method for calculating fractional s-character for bonds of tetrahedral oxyanions in crystals , 1987 .
[26] M. Spackman,et al. Electron density and the chemical bond. A reappraisal of Berlin's theorem , 1985 .
[27] Elfi Kraka,et al. Chemical Bonds without Bonding Electron Density — Does the Difference Electron‐Density Analysis Suffice for a Description of the Chemical Bond? , 1984 .
[28] Friedrich Biegler-König,et al. Calculation of the average properties of atoms in molecules. II , 1982 .
[29] Gerald V. Gibbs,et al. Molecules as models for bonding in silicates , 1982 .
[30] R. Bader,et al. Calculation of the average properties of atoms in molecules. II , 1981 .
[31] G. V. Gibbs,et al. 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 .
[32] R. J. Hill,et al. Tetrahedral bond length and angle variations in germanates , 1977 .
[33] I. Brown,et al. Empirical bond-strength–bond-length curves for oxides , 1973 .
[34] E. G. Ehlers,et al. Ternary Phases in the System MgO‐GeO2‐LiF , 1967 .
[35] G. R. McCormick. Subsolidus Equilibria in the System MgO–GeO2–MgF2 , 1966 .
[36] R. Gillespie. Bond Angles and the Spatial Correlation of Electrons1 , 1960 .
[37] J. R. Goldsmith. Gallium and Germanium Substitutions in Synthetic Feldspars , 1950, The Journal of Geology.
[38] Hamburger SynchrotronstrahlungslaborHASYLAB. Bond angle distribution in amorphous germania and silica , 1996 .
[39] Æleen Frisch,et al. Exploring chemistry with electronic structure methods , 1996 .
[40] F. Nishi,et al. The nature and the variation of Ge – O bonding in germanates , 1992 .
[41] J. W. Downs. Electrostatic Properties of Minerals from X-Ray Diffraction Data: A Guide for Accurate Atomistic Models , 1991 .
[42] D. Cremer,et al. Chemical Implication of Local Features of the Electron Density Distribution , 1990 .
[43] G. V. Gibbs,et al. A modeling of the coesite and feldspar framework structure types of silica as a function of pressure using modified electron gas methods , 1988 .
[44] Z. Maksić,et al. Modelling of structure and properties of molecules , 1987 .
[45] Mark A. Spackman,et al. Atomic charges and electron density partitioning , 1985 .
[46] Elfi Kraka,et al. A Description of the Chemical Bond in Terms of Local Properties of Electron Density and Energy , 1984 .
[47] M. Newton,et al. 9 – A Comparison of Experimental and Theoretical Bond Length and Angle Variations for Minerals, Inorganic Solids, and Molecules , 1981 .
[48] S. Iwai,et al. The crystal structures of germanate micas, KMg2.5Ge4O10F2and KLiMg2Ge4O10F2 , 1978 .
[49] B. Jerslev. Effective Ionic Radii in Oxides and Fluorides* , 1969 .
[50] L. Pauling. The Nature Of The Chemical Bond , 1939 .