SEARCH Articles Figures Tables A Self-Consistent Field Variational Calculation of IP for the Helium Atom Ad hoc or transferable Force field fitting from ab initio calculations And force-field calculations Approximate methods of field calculation in induction logging Atomic self-consistent field calculations Calculating Thermodynamic Properties Using a Force Field Calculation and Application of Molecular Interaction Fields Calculation nonstationary fields Calculation of Crystal Field Parameters Calculation of fields Calculation of the Molecular Interaction Field Calculations, field gradient Cavity fields total energy calculations Closed-shell molecule, self-consistent field configuration, calculation Comparative molecular field analysis property calculations Complete active self-consistent field calculation Complete active space self-consistent field CASSCF) calculations Complete active space self-consistent field CASSCF/CASPT2 calculations Complete active space self-consistent field calculations, with Complex self-consistent field calculations Computational force field calculations Computer codes field calculations Copper complexes crystal-field calculations Coupled self-consistent field calculations Crystal field theory calculations Crystal-field calculations Cyclohexane force field calculation Diffusion theory self-consistent field calculations Electric field gradient calculation Electric field, calculation Electric field, calculation effect Electric fields, static finite-difference calculations Electronic states Self-consistent field calculations, electron Empirical force field calculations, hydrogen Empirical force field calculations, hydrogen bonding Empirical force-field calculations Empirical force-field calculations limitations Field flow fractionation calculations Field-Theoretic Calculation Fields free energy calculations Finite Field Calculations of Raman Intensities Finite Volume Method for Calculation of Flow Field Finite-field calculations Finite-field method polarizability calculations Fixed-charges, polarizable force field calculations Force Field Calculations Structural Organic Chemistry Force Field, Virial Calculation of Stress Force Fields and Molecular Mechanics Calculations Force field calculations, vibrational Force field calculations, vibrational spectroscopy Force field for molecular mechanic calculations Force fields from ab initio calculations Force-field calculations Force-field calculations. See Force-field energies, calculated Force-field methods, calculation Force-field methods, calculation of molecular structure and energy Halides, force field calculations with Hartree, self consistent field calculations Hartree-Fock and Self-Consistent-Field Calculations Hartree-Fock calculations space self-consistent field Hartree-Fock self-consistent field energy calculations Hartree-Fock self-consistent-field calculations Ligand field calculations Ligand field calculations plastocyanin Ligand field stabilization energy calculation Ligand field theory calculations MMX force field calculations Magnetic field effects calculation Mass calculated dispersion field Mean-field calculation Mean-velocity field calculations Molecular structure and energy calculation of, by force-field Molecular structure and energy, calculation of, by force-field methods Monte Carlo-self-consistent field calculations Multiconfiguration self-consistent field calculations Multiconfigurational self-consistent field calculations Multireference self-consistent-field calculation Near-field integral calculation Near-fields calculation scoping Polymer adsorption models in field calculations Post Self-Consistent Field Calculations Protein Data Bank force field calculations Quantum chemical calculations self-consistent field theory Resonant field positions, calculation Resonant field positions, calculation Resonator Self-consistent field Xa scattered wave calculations Self-consistent field calculation definition Self-consistent field calculation with potential well Self-consistent field calculations Self-consistent field calculations models Self-consistent field calculations molecules Self-consistent field calculations principles Self-consistent field calculations, computer codes Self-consistent field calculations, role Self-consistent field calculations, solute-solvent interaction Self-consistent field methods, effective nuclear charge calculated using Self-consistent field relativistic calculations Self-consistent field shielding calculations Self-consistent field theory Hartree-Fock electronic structure calculations Self-consistent reaction field calculation Self-consistent-field calculations theory Selfconsistent field calculations Sensitivity of Calculated Free Energies to Force Field Parameters Theoretical calculations self-consistent field Westheimer empirical force field calculations Westheimer force field calculations Zeolite force field calculations Zero-field splitting parameters, calculations