Charles W Bock

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Charles W



Publications in SciGraph latest 50 shown

  • 2019-02 A comparison of the structure and bonding in the donor–acceptor complexes H3N → BR(OH)2 and H3N → BRH(OH) (R = H; NH2, OH, and F): a computational investigation in STRUCTURAL CHEMISTRY
  • 2017-08 Monosubstituted Phenylboronic Acids, R–B(OH)2 (R = C6H5, C6H4CH3, C6H4NH2, C6H4OH, and C6H4F): A Computational Investigation in STRUCTURAL CHEMISTRY
  • 2016-08 A comparison of the structure and bonding in the aliphatic boronic R–B(OH)2 and borinic R–BH(OH) acids (R=H; NH2, OH, and F): a computational investigation in STRUCTURAL CHEMISTRY
  • 2015-08 A computational investigation of monosubstituted boroxines(RH2B3O3): structure and formation in STRUCTURAL CHEMISTRY
  • 2011-12 Infrared spectral identification of the high-energy conformer of gauche,Trans,trans,Trans,gauche-octa-1,3,5,7-tetraene in RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • 2011-02 Comment on the ab initio vibrational analysis of the rotational isomers of Acrolein in JOURNAL OF STRUCTURAL CHEMISTRY
  • 2009-12 Identification of the high-energy conformer of octa-1,3,5,7-tetraene detected in the one-photon excitation fluorescence spectrum in STRUCTURAL CHEMISTRY
  • 2008-10 Predictive abilities of scaled quantum mechanical molecular force fields: application to 2,3-dimethylbuta-1,3-diene in STRUCTURAL CHEMISTRY
  • 2008-06 Predictive abilities of scaled quantum-mechanical molecular force fields: application to 2-methylbuta-1,3-diene (isoprene) in STRUCTURAL CHEMISTRY
  • 2006-03 The Arrangement of First- and Second-shell Water Molecules Around Metal Ions: Effects of Charge and Size in THEORETICAL CHEMISTRY ACCOUNTS
  • 2005-01 Some aspects of scaling factor calculations for quantum-mechanical molecular force fields in JOURNAL OF STRUCTURAL CHEMISTRY
  • 2004-04 Structure of 4-[4-(Dimethylamino)-Phenylazo] Benzeneboronic Acid and Its Cyclic Esters with D-Glucose: A Computational Study in STRUCTURAL CHEMISTRY
  • 2003 Soft Computing and Density Functional Theory in the Design of Safe Textile Chemicals in SOFT COMPUTING IN TEXTILE SCIENCES
  • 2003 Soft Computing, Molecular Orbital, and Density Functional Theory in the Design of Safe Chemicals in SOFT COMPUTING APPROACHES IN CHEMISTRY
  • 2001-08 Two-Metal Binding Motifs in Protein Crystal Structures in STRUCTURAL CHEMISTRY
  • 2001-02 Conformational Analyses of Glycinal and Alaninal: A Computational Study in STRUCTURAL CHEMISTRY
  • 2000-06 All-trans- and t,T,t,C,t,T,t-deca-1,3,5,7,9-Pentaenes: Ab Initio Structures, Vibrational Analyses, and Some Regularities in the Series of Related Molecules in STRUCTURAL CHEMISTRY
  • 1999-08 Intramolecular Nonbonded Interactions Between Oxygen and Group VIA Elements: An Ab Initio Molecular Orbital and Density Functional Theory Investigation of the Structures of HX—CH2—COOH (X=S, Se, and Te) in STRUCTURAL CHEMISTRY
  • 1999 Artificial neural networks aid the design of non-carcinogenic azo dyes in FOUNDATIONS OF INTELLIGENT SYSTEMS
  • 1997-08 Hydration of the carboxylate group: Anab initio molecular orbital study of acetate-water complexes in STRUCTURAL CHEMISTRY
  • 1996-08 The interaction of water with sulfonium ions and the effects of hydration on the energetics of methyl group transfer: An ab initio molecular orbital study of the hydration of (CH3)3S+ and (CH3)2S+CH2CO2− in STRUCTURAL CHEMISTRY
  • 1995-11 Ab initio calculations of the structure and harmonic force fields for the amine forms of dinitramine and methyldinitramine. Vibrational spectra and their interpretation using a scaling procedure in RUSSIAN CHEMICAL BULLETIN
  • 1994-10 Geometrical consequences of resonance-assisted intramolecular hydrogen-bond formation from Ab initio MO calculations on 2-nitroresorcinol in STRUCTURAL CHEMISTRY
  • 1994-04 An ab initio molecular orbital study of the grignard reagents CH3MgCl and [CH3MgCl]2: The Schlenk equilibrium in STRUCTURAL CHEMISTRY
  • 1993-02 An ab initio molecular orbital study of the trimethylgallium-arsine adduct: (CH3)3Ga:AsH3 in STRUCTURAL CHEMISTRY
  • 1992-02 Octa-1,3,5,7-tetraene: Ab initio geometries and vibrational spectra of some stable structures in STRUCTURAL CHEMISTRY
  • 1992-02 An ab initio structural and vibrational analysis of gauche,trans,trans- and gauche,cis,trans-hexa-1,3,5-trienes in STRUCTURAL CHEMISTRY
  • 1990-07 A molecular orbital study comparing the effects of heteroatom substitution in trans-1,3-butadiene, all-trans-1,3,5-hexatriene, and benzene in STRUCTURAL CHEMISTRY
  • 1990-03 Double H-bridged and single H-bridged diboryl radicals in STRUCTURAL CHEMISTRY
  • 1990-01 Molecular structure of nitrobenzene in the planar and orthogonal conformations in STRUCTURAL CHEMISTRY
  • 1990-01 Theoretical studies of the benzene oxide—oxepin valence tautomerism in STRUCTURAL CHEMISTRY
  • 1987-05 The matching of structural elements in reactions for evaluating stabilization energies for benzene and monosilabenzene in THEORETICAL CHEMISTRY ACCOUNTS
  • 1986-04 A molecular orbital study of nitrogen inversion in aniline with extensive geometry optimization in THEORETICAL CHEMISTRY ACCOUNTS
  • 1984-07 A molecular orbital study of the rotation about the C-C bond in 1,3-butadiene in THEORETICAL CHEMISTRY ACCOUNTS
  • 1982 The Evaluation of Stabilization Energies (Empirical Resonance Energies) for Benzene, Porphine and [18] Annulene from Thermochemical Data, and from AB Initio Calculations in THE BIOLOGICAL CHEMISTRY OF IRON
  • 1975-06 An alternative approach to the problem of assessing stabilization energies in cyclic conjugated hydrocarbons in THEORETICAL CHEMISTRY ACCOUNTS
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