# SEARCH

** Ab initio calculations for protonation, gas-phase **

** Ab initio calculations gas-phase acidities **

** Ab initio calculations, for gas-phase ions **

** Acidity in gas phase theoretical calculations **

** Acidity, gas phase, calculations **

** Application to hydrate phase equilibria calculations **

** Assessment Phase Material Balance Calculations **

** Assessment and calculation of phase diagrams **

** B3LYP calculations gas phase reactions **

** B3LYP calculations gas-phase acidity **

** Band structure calculations 3-phase **

** Basicity, gas phase calculation **

** Binary phase diagrams calculation **

** CALPHAD, Calculation of Phase Diagrams **

** Cake formation phase calculations **

** Calculated and experimental phase **

** Calculated and experimental phase compositions **

** Calculation of Activity Coefficients and Gas-Phase Composition **

** Calculation of Aqueous-Phase Reaction Rates **

** Calculation of Liquid-Phase Activity Coefficients **

** Calculation of Simple Phase Diagrams **

** Calculation of high-pressure phase equilibria **

** Calculation of phase diagrams method **

** Calculation of phase equilibria ( **

** Calculation of phase equilibria from the chemical potentials **

** Calculation of phase inversion in concentrated **

** Calculation of phase inversion in concentrated emulsions **

** Calculation of quantitative phase composition from bulk analysis **

** Calculation, thermodynamic optimization of phase diagrams **

** Calculations (contact in, gas phase **

** Chemical potential calculation of phase equilibria **

** Condensed phase DFT calculations **

** Corresponding states principle phase equilibrium calculations **

** Crystalline condensed phase calculations **

** Density aqueous phase, calculations **

** Density condensed phase calculations **

** Density functional theory calculations, gas phase clusters **

** Distribution calculation of the liquid phase **

** Effect of Approximations on Calculated Phase Boundaries **

** Equilibrium Calculations for Gas-Phase and Heterogeneous Reactions **

** Equilibrium The condition calculations for gas-phase and **

** Example calculations phase inversion **

** Flash calculations three phase **

** Fractals two-phase calculations **

** Frequency dependence two-phase calculations **

** Gas Phase Gibbs Free Energy Calculations **

** Gas phase reactions MP2 calculations **

** Gas phase vapor pressure calculations **

** Gas-phase mass transport calculation **

** Gas-phase reactions theoretical calculations **

** Hartree-Fock calculations gas phase matrix **

** Ideal gas-phase chemical equilibrium calculation **

** Liquid phases vaporization calculations **

** Liquid-phase structure, calculations **

** MP2 calculations fluorides in, gas phase **

** Mixtures of multiple phases/compounds, calculating **

** Modelling/DFT calculations bulk phases **

** Molecular dynamics simulations for calculation of phase equilibria **

** Molecular-orbital calculations gas-phase **

** One-Phase Reaction-Equilibrium Calculations **

** Perturbation calculations Phase diagrams **

** Phase calculation from fugacity **

** Phase change enthalpy calculations **

** Phase diagram calculation, thermodynamic **

** Phase diagram models for calculations **

** Phase diagrams calculation of elemental **

** Phase equilibria for design calculations **

** Phase equilibrium calculations, solid-fluid **

** Phase equilibrium calculations, starting point for all **

** Phase measurement calculations **

** Phase stabilities ab-initio calculations **

** Phase stabilities first principle calculations **

** Phase transitions method for the calculation **

** Physical properties and phase equilibrium calculations **

** Polymer melts random phase calculations for **

** Portland cement clinker calculation of phase composition **

** Product phase space calculations **

** Proton transfers in gas phase, ab initio calculations **

** Random phase approximation calculations **

** Scattering calculations phase-based treatment, two-dimensional **

** Single phase line pressure drop calculation **

** Solubility phase equilibrium calculations **

** The Basis for Phase Equilibrium Calculations at Constant Temperature and Pressure **

** The General Two-Phase Equilibrium Calculation **

** Theoretical Calculations and Superacidity in the Gas Phase **

** Thermodynamic functions, calculated from phase integral **

** Three-Phase (Lw-H-V) Equilibrium Calculations **

** Two phase flow line pressure drop calculation **

** Two phase line pressure drop calculation **