| 79. ACTENG: Activation Energy Calculation |
| 80. LSKIN1: Least-Squares Treatment of First-Order Rate Data |
| 162. DATAR: Rate Parameters from Differential Scanning Calorimetric Thermograms |
| 168. PARACT: Rate Constant Calculations from Differential Scanning Calorimetric Thermograms by the Bernoulli Equation |
| 179. ACTEN: Arrhenius Activation Energies and Frequency Factors |
| 195. Subroutine FIRST and SECOND for Rate Constant Evaluation |
| 234. RRKM: General Program for Unimolecular Rate Constants |
| 244. TGAP: Estimation of Gas-Phase Thermokinetic Parameters |
| 282. KUNI: Calculation of Unimolecular Rate Constants by Optional Use of the Kassel, Slater or RRKM Integrals |
| 291. MINI-RRKM: Minicomputer-Adapted Version of QCPE 234 |
| 293. MSIM4: Stochastic Mechanism Simulator |
| 343. NIKE: Numerical Integration of Kinetic Equations |
| 416. SOGEQ: A General Computer Program for the Calculation of Chemical Equilibria Including Activities in Multicomponent Condensed Phases |
| 433. Delta H Versus K-1 |
| 460. FALLOFF: Calculation of Fall-Off Curves for Unimolecular and Termolecula Reactions |
| 522. GEAR ITERATOR: Fitting Experimental Data with Gear Algorithm Integration of Chemical Kinetics Equations |
| 530. FALLOFF: Calculation of Fall-Off Curves for Unimolecular and Termolecular Reactions through Solution of the Master Equation (IBM Version) |
| 557. TSTPST: Statistical Theory Package for RRKM/QET/TST/PST Calculations |
| 563. CLAMPS: Classical Many-Particle Simulator |
| 570. ENERO: Algorithm to Calculate Shortest Distances between Rods Modelling Linear Molecules |
| 595. MDSP1B: A Molecular Dynamics Algorithm of Order N |
| 601. POLYRATE: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics (Version 2.5) |
| 605. OPKINE: Non-Linear Analysis of Kinetic Data |
| 94. PROXYZ: Cartesian Coordinates for Atoms in Molecules |
| 130. CORCAL: Molecular Atomic Coordinates from Bond Lengths and Bond Angles |
| 135. MBLD: Standard Geometric Models and Cartesian Coordinates of Molecules |
| 169. CARCOR: Calculates Cartesian Coordinates for All Atoms in a Molecule |
| 226. COORD/1130: Calculations of Atomic Coordinates of Molecular Systems |
| 250. ATCOOR: Calculation of Cartesian Coordinates |
| 292. ATCOOR2: A Modification of ATCOOR (QCPE 250) |
| 332. CART: Molecular Geometry Generator |
| 363. CYCORD: Program for Calculating the Coordinates of Atoms in Mono- and Polycyclic Molecules When the Dihedral Angles Are Not Known |
| 419. COORD: Interconversion of Cartesian and Internal Coordinates |
| 452. EUCLID: An Interactive System for Calculations Relating to Molecular Geometries |
| 471. ITCOOR: An Iterative Procedure for Computation of Atomic Cartesian Coordinates |
| 512. STRUCTURE: Rapid Interactive Structure Input and Geometry Optimization |
| 535. VIB: Normal Modes of Vibration |
| 553. ZMAKER: Z-Matrix Generation from Cartesian Coordinates |
| 590. DGEOM: Distance Geometry Program |
| 598. InterCon: A Program for Interconverting Molecular Coordinates |
| 604. MOLVIB: Calculation of Harmonic Force Fields and Vibrational Modes of Molecules |
| 609. ANHTRAX: Cubic Force Constants in User-Specified Non- Degenerate Internal Coordinates |
| 57. GNCTP: General Normal Coordinate Treatment |
| 78. GF MATRIX: Secular Determinant Solution in Normal Coordinate Analysis |
| 176. NORCRD: Short XYZ Version |
| 177. NORCRD: Long XYZ Version |
| 178. XYZ: Geometry of Molecules |
| 208. COMPLY: Least-Square Refinement of a Compliant Field |
| 258. ISOTOPE EFFECTS V-I |
| 275. MODFOR: Normal Coordinate Analysis Solution by a Systematic Variation in the Wilson F-Matrix |
| 337. BEBOVIB-IV: Isotope Effects Calculational System |
| 339. NCRDWC: A Program to Determine Vibration Frequencies and Normal Modes of Vibration |
| 342. General Vibrational Analysis Programs Utilizing the Wilson GF Matrix Method for a General Unsymmetrized Molecule |
| 496. POLYMODE: Vibrational Energies for Coupled Anharmonic Oscillators |
| 505. SURVIB: Potential Energy and Property Surface Fitting and Vibrational Analysis, Including Anharmonicity, for Polyatomic Systems |
| 576. General Vibrational Analysis System |
| 247. QCFF/PI: Quantum Mechanical Extension of the Consistent Force-Field Method (1982 Contribution) |
| 318. MMI/MMPI: Calculations by the Method of Molecular Mechanics |
| 325. MCA: A General Program for Molecular Crystals Analysis |
| 348. BIGSTRN: Empirical Force Field Calculations |
| 395. MM2: Molecular Mechanics II |
| 410. BIGSTRN-2: Empirical Force-Field Calculation |
| 423. MM2: Molecular Mechanics II (CDC Version of QCPE 395) |
| 488. Rapid Interactive Structure Input for MM2 |
| 501. MM2: Molecular Mechanics II (VAX Version of QCPE 395) |
| 508. POAV2: Hybridization and the Orientation and Alignment of p-Orbitals in Non- planar Conjugated Organic Molecules (p-Orbital Axis Vector Analysis) |
| 514. BIGSTRN-3: General-Purpose Empirical Force-Field Program |
| 534. QCFF/PI: Quantum Mechanical Extension of the Consistent Force-Field Method (VAX Version) |
| 542. QCFF/PI: Quantum Mechanical Extension of the Consistent Force-Field Method (IBM 3090 Version) |
| 543. MINP: MM2 Input Assist Program (VAX Version) |
| 547. MM2: Molecular Mechanics II (IBM 3090 Version) |
| 551. PRODIS: Low-Energy Conformations of Flexible Molecules |
| 559. BIGSTRN-3: General-Purpose Empirical Force-Field Program |
| 588. Random Incremental Pulse Search |
| 592. CONFLEX: Generation of Ring Conformers by Corner- Flapping Algorithm |