| 182. DIATH2: A Computer Aid for Studying the Quantum Mechanics of the Chemical Bond |
| 196. TITRATE: A Program for Titration Simulation |
| 213. HYDRGN: Quantum Mechanical Bonding in the Hydrogen Molecule |
| 343. NIKE: Numerical Integration of Kinetic Equations |
| 115. Linear Least-Squares Fitting of Weighted Data |
| 139. Perturbation Calculation |
| 147. FRS3: FORTRAN REAL SORT Version 3 |
| 155. AFIT: Molecular Orbital Calculations by the Jacobi Method |
| 156. ALEGEN: Values of Associated Legendre Functions |
| 190. APER: Seventh-Order Nondegenerate Double- Perturbation Calculation |
| 193. Self-Consistent Charge and Configuration Calculations on Inorganic Compounds |
| 194. CONVERT: IBM 360 FORTRAN Programs to CDC 6600 FORTRAN Conversion |
| 206. SUPERCIS: Urey-Bradley Five-Atom Configuration |
| 225. 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 |
| 230. FITIT: Non-Linear Least-Squares Fit |
| 231. NEPROP: Subroutines for Numerical Propagation of Uncertainties |
| 289. FORCE-2: Address, Storage, and Module Management Subroutines |
| 302. Dynamic Array Assignment in FORTRAN |
| 303. ENERGY: Atomic Energy Levels by Screening Parameter Formalism |
| 306. RISM, RISMGR, RISMSK: A Set of Programs to Solve the RISM Equation for the Pair Correlation Functions and Molecule Structure Factors of Molecular Liquids |
| 313. MOMAP: A Subroutine for Producing Contour Maps of MO Amplitudes |
| 317. FFORM: Subroutine to Handle Format-Free Input |
| 319. OSCILL: Matrix Elements of Powers of the Dimensionless Coordinate for the Non-Degenerate Simple Harmonic Oscillator and of Powers of the Dimensionless Radial Coordinate for the 2-Fold or 3-Fold Isotropic Harmonic Oscillator |
| 320. FACTANAL: Target-Transformation Factor Analysis |
| 321. NLCAL: Nonlinear Calibration |
| 322. 1D/2D/3D: Cubic Spline Interpolation Package |
| 357. LINEAR and NONLINEAR: A Set of Programs to Calculate the Classical Pressure Second Virial of Linear and Nonlinear Molecules |
| 362. DIAGRAM: Generation of Goldstone and Bloch- Brandow Diagrams to 5th Order |
| 364. OSCILL: Matrix Elements of Powers of the Dimensionless Coordinate for the Nondegenerate Simple Harmonic Oscillator and of Powers of the Dimensionless Radial Coordinate for the 2-Fold or 3-Fold Isotropic Harmonic Oscillator (IBM Version of QCPE 319) |
| 374. PFORT Verifier |
| 384. MICMEN: Michaelis-Menten Enzyme Kinetics |
| 405. FF (Flexible Formatting) Package |
| 413. SAREA: Van der Waals (and Accessible) Surface Area of Molecules |
| 429. Molecular Surface Program |
| 444. MATH: Math Processing Facility |
| 445. RISMIX: An Extension of Lowden's Program (QCPE 306) to Solve the RISM Equation for Multicomponent Molecular Fluids |
| 475. DNAMAP: DNA Sequence Manipulation and Analysis Package |
| 478. SPLINE: Tensioned Spline Fit Program |
| 480. IONPIT: Pitzer Ion Interaction Approach |
| 494. MOHELP: A General Input Utility (HELP UTILITY) |
| 509. MOLSV: Molecular Volume and Surface Area Calculation |
| 510. RNGCFM: Exploration of Medium-Size Ring Conformations |
| 511. CYCPEP: Sequence Determination of Cyclic Peptides |
| 554. GEPOL/93: Area and Volumes of Molecules |
| 555. BOLTZMAN: Boltzmann Distribution Program |
| 562. AP: A General Fitting Program for Resolution of Complex Profiles |
| 567. SEA: Steric and Electrostatic Alignment Molecular Superposition Program |
| 574. PFIP: Portable FORTRAN Implementation of PRISM |
| 594. PAP: A Protein Analysis Package |
| 607. THERPOLY: Research Grade Thermodynamic Functions for Polyatomic Molecules in the Ideal Gas State (Version 8.1) |
| 608. CHEMICALC-2: Combined Handling of Estimation Methods Intended for Completely Automated Log p Calculations |
| 610. MSEED: A Fast Program for Calculating Solvent- Accessible Areas of Molecules |
| 175. PLOT: Printer Plotting Subroutine |
| 219. PRINT: Plotting and Representation in Three Dimensions by Line Printer |
| 313. MOMAP: A Subroutine for Producing Contour Maps of MO Amplitudes |
| 369. APLPLOT: Computer Plotting System |
| 370. NAMOD: A Computer Program for Drawing Perspective Diagrams of Molecules |
| 375. MMAP: Contour Mapping by Interpolative Methods (Version 3) |
| 412. GEPORT: Generation, Enumeration and Plotting of Rooted Trees |
| 418. ZMAT: Interactive Stereo Graphics Program |
| 492. DENSITY: Density Plots from MOPAC (QCPE 455) Calculations |
| 493. DRAW: Molecule Drawing Program (Version 2.0) |
| 502. BILD85: Multicolor Plots of Manifolds Which May Penetrate Each Other |
| 526. ARKMOD: Arkansas Molecular Display Program |
| 532. NEWMAN: Graphical Newman Projections |
| 533. CDRAFT: Chemical Draftsman |
| 537. KMG: Kant Molecular Graphics Program (Version 2.05) |
| 552. STICK: 2-D Graphics System |
| 566. USURF: Generation of Smooth Molecular Dot Surfaces |
| 575. MOLGRATH: A Molecular Graphics Tool for Result Analysis in Theoretical Chem- istry Calculations |
| 578. CMAP: Chemical Modeling Applications Platform (MVS Version 1.5) |
| 583. MOLECULE: GKS Graphical Display Package |