| 611. VIBRATE: A Normal Mode Visualization Program |
| 612. CPKPDB: Space-Filling Image Generator for Brookhaven Protein Data Bank Files |
| 613. MLDC8: Automated Analysis of NMR Spectra |
| 614. SIBFA: Sum of Interactions Between Fragments Ab Initio Computed |
| QCMP100. MLDC8: Automated Analysis of NMR Spectra |
| QCMP101. Hamiltonian Paths in Polyhexes |
| 655. GRID: Point Multipoles Derived from Molecular Electrostatic Properties (Version 3.0) |
| QCMP135. HOLMES: Target Factor Analysis Program |
| 656. spiroVib: Graphics-Based Normal Mode Analysis |
| 657. Quantum MagiC: A Quantum Monte Carlo Program for the Electronic Structure of Atoms and Molecules (Version 7.6) |
| 658. FITVIB: Refinement of Kinetic and Potential Energy Functions for Several Large Amplitude Vibrations Using Experimental Data |
| QCMP136. EPR for Biological Samples (Version 1.0) |
| QCMP137. MOPAC6 for IBM/PC |
| 590. DGEOM(95): Distance Geomerty Pgm |
| QCMP102. The Hartree-Fock-Slater System of Programs for Qualitative Atomic Structure Calculations on IBM PC and Compatible Systems |
| QCMP103. MOLVIB: Calculation of Harmonic Force Fields and Vibrational Modes of Molecules |
| 615. PSDD: Perceptron-Type Neural Network Simulator as expected with "PREFIX:".summary output file. |
| 616. ORTLOC: Orthogonalized Localized Molecular Orbitals |
| 601. POLYRATE: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics (version 6.5) |
| 606. AMSOL: An SCF Program Incorporating Free Energies in Aqueous Solution and Semiempirical Charge Models (Version 5.0) |
| 617. VOID: Volume Overlap, Isotopy and Docking |
| 659. PACK: Packing Polypeptide Chains by Energy Minimization |
| 660. PALKE: NMR Simulation Program Park |
| QCMP104. Time-Dependent Master Equation Calculations |
| 661. GTA91: General Topological Analysis Program |
| 662. ANUCLYZE: Analyzing Hydrogen Binding |
| QCMP138. HG-PUBL: Program for the Analysis of Mutational Spectra |
| 663. ARVOMOL: Surface Areas and Volumes of Molecules |
| 664. LMIN: A Program for Crystal Packing |
| 665. NIVELON: Calculation of Anharmonic Vibrational Energy Levels |
| QCMP139. PROANAL: Multifunctional Program for the Analysis of Protein Sequences and the Study of the Structure- Activity Relationship in Protein Families (V. 2.0) |
| QCMP140. HPLC for WINDOWS |
| QCMP141. A PC-Based General Program for the Simulation and Analysis of Cyclic Voltammetric Experiments |
| QCMP142. NIVELON: Calculation of Anharmonic Vibrational Energy Levels |
| QCMP105. PEEKS: Isotope Abundance Program |
| QCMP143. PSIPC92: Plot 3-Dimensional Wavefunctions of Semi-Empirical Calculations |
| QCMP144. 3-SPIN: A Computer Program for the Exact Analysis of ABC 1H NMR Spectra |
| QCMP145. QCFF/PI - CFFTH2 (DOS Version of QCPE 593) |
| QCMP146. DNMR3-IT2: A Computer Program for the Calculation of Complex Exchange-Broadened NMR Spectra |
| QCMP147. TSTPST: Statistical Theory Packege for RRKMM/QET/TST PST Calculations |
| 666. MORATE: A Program for Direct Dynamics Calculations of Chemical Reaction Rates by Semiempirical Molecular Orbital Theory (Version 6.5) |
| QCMP149. DDRP-1: Program for Determining Dynamically Defined Reaction Path (DDRP) in 3-Atom Collinear Collision. |
| QCMP150. QUADRUP: Program for Calculating Magic-Angle- Spinning Solid-State NMR Lineshapes for Spin-1/2 Nuclei Dipolar and Scalar Coupled to Quadupolar Nuclei. |
| QCMP151. RRKM: A General RRKM Program. |
| QCMP106. Atomic Partial Charges by Del Re's Method |
| QCMP152. PSEUROT: Computer-Assisted Pseudorotational Analysis of Five-Membered Rings by Means of Vicinal Proton Spin-Spin Coupling Constant. |
| QCMP153. LINEAR and NONLINEAR: A Set of Programs to Calculate the Classical Pressure Second Virial of Linear and Nonlinear Molecules. |
| QCMP155. SIM14/SIM14A: Simulation of Powder EPR Spectra. |
| QCMP156. PPP-MO Method for Color Prediction by. |
| QCMP107. ESRSPEC2: Second-Order Electron Spin Resonance |
| 618. COMPARE-CONFORMER |
| 619. MOLDEN: A Portable Electron Density Program |
| 620. SIMUL: A General Program for the Simulation of Chromatograms Using the Theoretical Plate Model |
| 621. ESTAR: Electrostatic Properties Research Package |
| QCMP108. PCILO/2: Modified PCILO Method Including Transition Metals |
| QCMP109. MOLDRAW: Program for Predicting the 13C-NMR Chemical Shifts in Acyclic Hydrocarbons |
| QCMP110. RING: A Coordinate Transformation Program for Evaluating the Degree and Type of Puckering of a Ring Compound |
| QCMP111. NorMode 1.0:Visualization of Molecular Structures and Normal Modes |
| QCMP112. COSY: A System of Programs for the Analysis of Kinetic and Equilibrium Data |
| 622. SCRFPAC: A Self-Consistent Reaction Field Package |
| 623. MD Display: Program for Displaying Molecular Dynamics Results |
| 624. ELLIPSOID: Calculation of Ellipsoidal and Spherical Cavities of Molecules |
| 625. EHGO: Extended-Hückel-Based Geometry Optimizing Program |
| QCMP113. MOPAC: Version 6.0 for the IBM-PC |
| QCMP114. EUTIT: Equivalence Volume or Ionization Constant of Any Monoprotic Acid |
| QCMP115. FLUORIM: A Program for Automated Data Collection and Treatment Using Commercial Spectrofluorimeters |
| QCMP116. ICONC & INPUTC: EHT Calculations with Fragment MOs |
| 626. INTERCHEM: A Comprehensive Molecular Modelling System |
| 627. mdXvu: X11-Based AMBER Molecular Dynamics Viewing/Analysis Program |
| 628. REDONG and VISUVIB |
| 629. KICO: Kinetic Constants Calculation Program |
| QCMP117. RLINEAR/RMULT |
| QCMP118. VIBMOL: Graphic Visualization of Molecular Vibrations in the Harmonic Approximation |
| QCMP119. FALLOFF |
| QCMP120. VIBRAM: Vibrational Animation of Molecules |
| 630. MOLFIT: Superposition of Two Molecules |
| 631. FCARTP: A Series of Programs Used to Generate a Predicted Set of Fundamental Vibrational Frequencies |
| 632. Implementation and Use of the Method of Prudent Ascent in Conformational Analysis Using Molecular Mechanics |
| 633. DNMR6: Calculation of NMR Spectra Subject to the Effects of Chemical Exchange |
| QCMP121. INTERVAR: Radical Recombination by Inversion of Interpolated Partition Function |
| QCMP122. CSPEC: Computer Program for Shift Prediction and Spectral Simulation |
| QCMP123. SPECTRA-PLOT: PC Plotting Software for the VAX DNMR6/LORSHP Dynamic NMR Simulation Package |
| QCMP124. SIMVOL/PLTSIM Package |
| QCMP125. DISMAP: A DOS Program to Graphically Display Distance Maps of Molecules |
| 634. SEAL: An Alternate Method for the Alignment of Molecular Structures |
| 635. SIMVOL: A Program to Calculate the Volumes, Areas, RMS Overlap, and Percent Similarity and Identicality of Two Molecules |
| 636. NOEMOL: Nuclear Overhauser Effects in NMR Spectroscopy |
| QCMP126. VISION3: Surface and Contour Plot Generating Software for Double Dihedral Angle Driver Calculations of Molecular Mechanics (MM2/87) |
| QCMP127. SILMUT: A Program for the Identification of Regions Suitable for Silent Mutagenesis to Introduce Restriction Enzyme Recognition Sequences |
| QCMP128. ASYM20: A Program for Force Constant and Normal Coordinate Analysis |
| QMAC017. MOLSVMAC: Program for the Calculation of Molecular Volume and Surface Area |
| QMAC018. VSSMAC: Molecular Electrostatic Potential Mapping Program |
| 637. MAXWELL: Calculation of Electrostatic Interaction Energies |
| 638. PEPA: Poly-Electron Population Analysis Program |
| 639. ASYM40: A Program for Force Constant and Normal Coordinate Analysis |
| 640. SIMLYS 2.0: Analysis of Simulation Results |
| QCMP129. CHEMICALC-2: Combined Handling of Estimation Methods Intended for Completely Automated Log p Calculations |
| QCMP130. MOPAC 7: Molecular Orbital Package Version 7 |
| 641. PPP-MO (Pariser-Parr-Pople) MO Calculations |
| 642. RKR (Rydberg, Klein, Rees) Method Program |
| 643. COLRATE: Calculation of Gas-Kinetic Collision Rate Coefficients |
| 644. RRKM: A General RRKM Program |
| QCMP131. SCIBASE: A Scientific References Database System |
| QMAC019. CNDEX: Program for CNDO/INDO Reactivity Indices Calculations |
| QMAC020. FORTICONMAC: An Interactive Version of FORTICON 8 |
| 645. SYBST: Calculating STERIMOL Parameters from SYBYL MOL Files |
| 646. POCKETT: Programs Used for Locating and Manipulating Pockets or Holes in Proteins |
| 647. FGHEVEN: Solution of the One-Dimensional Schroedinger Equation |
| 648. ROVI: RO-VIbrational Properties Calculation Program |
| QCMP132. ARVOMOL: Surface Areas and Volumes of Molecules |
| QMAC021. KINAGDC: Fitting to Kinetic Data by the AGDC Algorithm |
| 649. ION: A Program to Evaluate Cross Sections for Ionization in Ion-Atom Collisions |
| 650. SAMPLS: Sample Distance Partial Least Squares Program |
| 651. MOS: Semiempirical MO Package for Spectroscopy |
| QCMP133. KINET 2.0: Stability Studies of Pharmaceutical Products |
| QCMP134. MIXTOP: Optimization of Response Surfaces by Mixture Designs |
| 652. ABACUS: Interactive Program for Nonlinear Regression Analysis |
| 653. DIFSA: A Program to Simulate a Set of Experimental Diffraction Efficiencies |
| 654. NADIR92: A Device-Independent Graphics Platform |