SEARCH Articles Figures Tables Calculation of Conformational Parameters Calculation of Crystal Field Parameters Calculation of EPR Parameters Calculation of Kinetic Parameters and Polymer Formation Behavior Calculation of Lattice-Gas Parameters by Density Functional Theory Calculation of Mass Transfer Parameters Calculation of Model Parameters Calculation of Reactor Parameters Calculation of interaction parameter Calculation of kinetic parameters Calculation of solubility parameters Calculations of Energy Levels and Magnetic Parameters Computer-Aided Calculations of Spin-Hamiltonian Parameters Correlation of Log P with Calculated Quantum Chemical Parameters Evaluation of spectral and other experimental parameters using Hartree-Fock-Roothaan calculations Example calculation of parameters for phenytoin Manual Calculations of Spin Hamiltonian Parameters Parameter calculation Properties and Calculated Parameters of Representative Quantum-Chemical Calculations of NMR Parameters Sensitivity of Calculated Free Energies to Force Field Parameters