# SEARCH

** Calculation of Conformational Parameters **

** Calculation of Crystal Field 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 **

** Properties and Calculated Parameters of Representative **

** Quantum-Chemical Calculations of NMR Parameters **

** Sensitivity of Calculated Free Energies to Force Field Parameters **