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Main / Catalog / Section13


667. STOP!: A Slater-Type Orbital Package
QCMP157. SCF-ORBITAL: Self-Consistent Perturbation Calculation of the Orbital Nuclear-Spin Coupling Constant
QCMP158. DSYMPLOT: Program for the Simulation of NMR Spectra in Isotropic and Anisotropic Phases Using Chemical Equivalences in a General Way
QCMP159. KICO: Kinetic Constants Calculation Program
QCMP160. ELLIPSOID: Calculation of Ellipsoidal and Spherical Cavities of Molecules
QCMP161. MOLAREA: Calculation of the Surface Area of a Non-Spherical Molecule or Molecular Cavity in a Fluid from the Van der Waals Radii of Component Atoms
QCMP162. 3J/6J: Magnitudes of 3J and 6J Symbols
QCMP163. CLAMPS: Classical Many-Particle Simulator
668. BlockSearch: Elucidation of Unknown Protein Functions
QCMP164. USURF: Generation of Smooth Molecular Dot Surfaces
QCMP165. QUADRUP: A Mössbauer Point-Charge Program for Windows
QCMP166. HACTCOE: Calculation of Proton Activity Coefficients
QCMP167. PEPMOTIF: Finding "Motifs" in Protein Sequences
669. RRIP: Resonance Raman Intensity Program
670. HABIT95: A Program for Predicting the Morphology of Molecular Crystals as a Function of the Growth Environment
QCMP168. CRYSOL: A Program to Evaluate X-Ray Solution Scattering of Biological Macromolecules from Atomic Coordinates
QCMP169. KNPROG: First-Order Rate-Constant Calculation
671. VENUS96: A General Chemical Dynamics Program
QCMP170. DSYMPLOT: Program for the Simulation of NMR Spectra in Isotropic and Anisotropic Phases Using Chemical Equivalences in a General Way
QCMP171. INTENSITY: Transition Probabilities for Diatomic Molecules
672.PARTI: A Program for the Computation of Thermodynamic Properties and the Re-finement of Canonical Ensemble Partition Functions in Flexible Molecular Sys-tems
QCMP172.QSCOMP: Program of the 57FE M\224ssbauer Quadrupole Splitting Parameters Evaluation
QCMP173.Thermal Rate Constants for Unimolecular Reactions Including Tunneling and Cur-vature Corrections



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