SEARCH Articles Figures Tables 2- imidazole, calculations on intramolecular hydrogen bonding 5- Hydroxycyclohepta isoxazole-4 one, calculations of hydrogen transfer Calculated Hydrogen-Bonding Descriptors Calculating Hydrogen-Bond Geometries Calculation of Energy Barriers for Elementary Steps in Hydrogen-Halogens Reactions Carbon-hydrogen combustion calculations Density functional theory , hydrogen structure calculations Empirical force field calculations, hydrogen Empirical force field calculations, hydrogen bonding Frequency calculations, hydrogen-atom Ground-state calculations hydrogen molecules HYDROGEN PARTIAL PRESSURE CALCULATIONS Hydrogen GRID calculations Hydrogen amount needed, calculation Hydrogen atom calculations Hydrogen atom, calculations Schrodinger model Hydrogen bond probability calculation Hydrogen bonds calculations Hydrogen bonds electronic structure calculations Hydrogen bonds theoretical calculation Hydrogen calculation methods Hydrogen electrode, Nernst-equation calculation Hydrogen ions binding calculations Hydrogen molecule minimum basis set calculation Hydrogen molecule simple calculations Hydrogen molecule, calculations Hydrogen peroxide calculation Hydrogen peroxide concentration calculation Hydrogen production calculation Hydrogen theoretical calculations Hydrogen volume, calculation Hydrogen-bonded molecules calculation protocol Hydrogenous systems reactor calculations Metal hydride hydrogen absorption calculation Orthophosphate (calculated as hydrogen phosphate) Reactants hydrogen ions, binding calculations Screened hydrogenic model calculations Theoretical Calculations of Hydrogen-Bond Geometries Transfer hydrogenation calculations Weak hydrogen bonds theoretical calculation