| QCMP001. CNDO/INDO: Computational Package with Z- Matrix Program |
| QCMP002. MNDO: Modified Neglect of Differential Overlap |
| QCMP004. MM2: Molecular Mechanics II |
| QCMP005. HAM/3: Molecular Orbital Calculations by the HAM/3 Method |
| QCMP006. POLYATOM: Version II |
| QCMP007. SCFMO: PPP-SCF Calculation with CI |
| QCMP008. SPECTRA: Spectroscopic Constants of Diatomic Molecules |
| QCMP010. MMIIPC: An Interactive Version of MM2 for Microcomputers |
| QCMP011. FORTICON8: Extended HO(u,¼)ckel Calculations on Molecules Containing Fifty or Fewer Atoms Bearing s, s and p and s, p and d Electrons |
| QCMP012. General Vibrational Analysis Programs Utilizing the Wilson GF Matrix Method for a General Unsymmetrized Molecule |
| QCMP013. LAOCN3: Computer Simulation of Complex NMR Spectra |
| QCMP014. DIPOLE: Dipole Moment Calculation |
| QCMP015. Characteristic Polynomial Program |
| QCMP016. MOLVIEW/CONVERT: Display of Space- Filling Models of Proteins |
| QCMP017. MOPAC-PC: A Microcomputer Version of MOPAC (A General Molecular Orbital Package) (Version 4.0) |
| QCMP018. NAMOD-PC: Molecule Drawing Library for the IBM-PC |
| QCMP019. MOPAC: A General Molecular Orbital Package (IBM-PC Version) (Version 4.0) |
| QCMP020. TGAP-PC: Estimation of Gas-Phase Thermokinetic Parameters |
| QCMP021. Computational Utilities Package |
| QCMP022. GEAR ITERATOR: Fitting Experimental Data with Gear Algorithm Integration of Chemical Kinetics Equations |
| QCMP023. SIMFIT: Spreadsheet, Linear and Nonlinear Regression Analysis with Statistical Analysis |
| QCMP024. MOPAC: A General Molecular Orbital Package (Version 4.0) (IBM-PC/âON:032 Version) |
| QCMP025. 3JHHPC: Vicinal Coupling Constants for Microcomputers |
| QCMP026. FFIELD: Force-Field Parameters |
| QCMP027. FSEUNIT: Programs for Defining Standards for Formal Steric Enthalpy |
| QCMP028. CNDO/INDO Computational Package with Z- Matrix Program |
| QCMP029. CINDO/SHIFT/UV: Shielding Tensors and Electronic Transitions Including Excited Configurations |
| QCMP030. MOPAC: For the Ryan-McFarland and IBM Compilers (Version 4.0) |
| QCMP031. DRAW for the IBM PC, XT or AT |
| QCMP032. MINP: MM2 Input Assist Program |
| QCMP033. DRAW for the ÆON:032/PC Coprocessor Board |
| QCMP034. CNDOIPC: Program for the Calculation of Electronic Spectra of Molecules |
| QCMP035. BIGSTRN-3: General-Purpose Force Field Program (IBM-PC/DSI32 Version) |
| QCMP036. OMEGA: A Program for Calculating Torsion Angles and Related Signs in Cyclic Compounds |
| QCMP037. STEPT: Direct Search Optimization Solution of Least-Squares Fit linking the following object files |
| QCMP038. NCRDWC: A Program to Determine Vibration Frequencies and Normal Modes of Vibration |
| QCMP039. VSSPC: Molecular Electrostatic Potential Mapping Program |
| QCMP040. FACTANAL: Target-Transformation Factor Analysis |
| QCMP041. PLOTR: Directive-Driven Plot Program |
| QCMP042. GIVENS: Vectorized Version of QCPE 62 |
| QCPM043. Ligand Field Calculations of Transition Metal Ions in Low Symmetry C3v Fields |
| QCMP044. POAV3: Rehybridization and p-Orbital Overlap in Nonplanar Conjugated Organic Molecules: |
| QCMP045. DECON: Resolution Enhancement of Spectra |
| QCMP046. RING: Closing of Cyclic Structure Exactly |
| QCMP047. DEWARPI: A Semiempirical Pi Molecular Orbital Program |
| QCMP048. ABTEST and ABHEATS: Ab Initio Basis Set Testing Programs |
| QCMP049. LAOCN-5: Analysis of Isotropic NMR Spectra of Spin- Systems |
| QCMP050. BOLTZMAN: Boltzmann Distribution Program |
| QCMP051. Display of Space-Filling Models of Proteins (includes programs MOLVIEW4, CONVERT2, QUIKDIS4 and CONV1/CAC) |
| QCMP052. CONFI: Geometries of C-H Molecules |
| QCMP053. MOLSV: Calculation of Molecular Volume and Surface Area |
| QCMP054. PPP-MO (Pariser-Parr-Pople) MO Calculations |
| QCMP055. C13: Carbon-13 NMR Identification Program |
| QCMP056. VMASS: A Modification of POWPAT (QCPE 154) |
| QCMP057. CNINDO/D: CNDO and INDO Molecular Orbital Program with Diorthogonalization for Closed-Shell Molecules |
| QCMP058. FFMAIN: Force-Field Maintenance |
| QCMP059. DNMR5: Iterative Nuclear Magnetic Resonance Program for Unsaturated Exchange-Broadened Bandshapes |
| QCMP060. RIRO: Rigid Rotor MM2 |
| QCMP061. GAUSSIAN 70 (IBM-PC/AT Version) |
| QCMP062. CNDUV99 Package: Computation of Electronic Transitions by the SCF-CNDO-CI Method Including Singly and Doubly Excited Configurations |
| QCMP063. VGEOM: A Program to View Molecular Geometries |
| QCMP064. CNDUPC: Computation of Electronic Spectra Using the SCF-CNDO-CI Method |
| QCMP065. PPP-MO (Pariser-Parr-Pople) MO Calculations (PASCAL Version) |
| QCMP066. PLTSTK: Program for Plotting Molecular Structures |
| QCMP067. UMAT: General Vibrational Analysis Program |
| QCMP068. ROK: Nonlinear Regression Optimization for Kinetics |
| QCMP069. MSIMPC: An Interactive Discrete Chemical Mechanism Simulator |
| QCMP070. EXTOIN: Program for Converting External Coordinates to Internal Coordinates |
| QCMP071. H2ION: Highly Accurate Eigenparameters for H2+ |
| QCMP072. POLYATOM: System of Programs for Quantitative Theoretical Chemistry (Version 2.0) |
| QCMP073. PICKUP: C13 Spectroscopic Properties Analysis |
| QCMP074. SS: Program for the Identification of Steady-State Processes in Biological Systems |
| QCMP075. pHENZY: Program to Conform the pH Dependence of the Michaelis Parameters of Nonallosteric Enzymes to Four Kinetic Schemes |
| QCMP076. COORDANG: Coordinate Generation Program |
| QCMP077. FLORYSWELL: Solution of Flory's Equation for the Equilibrium Swelling of a Network Polymer |
| QCMP078. XASW: Atomic X-a and Molecular Multiple Scattering X-a Electronic Structure Calculations (Version 2) |
| QCMP079. SCA: Systematic Conformational Analysis |
| QCMP080. SSIO: Spreadsheet Input-Output Interface |
| QCMP081. FINITE-PC: INDO Calculation of the Fermi Contribution to NMR Coupling Constants |
| QCMP082. RRKM: General Program for Unimolecular Rate Constants |
| QCMP083. AMPGAUSS: AMPAC to GAUSSIAN Interface Program |
| QCMP084. PSD: A Program for Surface Design |
| QCMP085. MOPAC: Protected Mode Version of Version 4.0 for IBM-PS/2 |
| QCMP086. XASW: Atomic X-a System (Version 2) (Protected Mode Version for PS/2) |
| QCMP087. XVIEW: Protein Molecular Display Program |
| QCMP088. ISOPROT: A Program for Conforming the Relaxation pH Profiles of Proteins to Nine Isomerization Schemes |
| QCMP089. FACTJOB: Transformation of Abstract Factor Solution to Real One in the Presence of Linear Constraints |
| QCMP090. MOPC: Molecular Orbital Plotting Program for the IBM-PC and Compatibles |
| QCMP091. MNDOC: MNDO Calculations with Correlation Energy (PS/2-OS/2 Version) |
| QCMP092. FORTICON8: Extended Hückel Calculations with s, p and d Orbitals (PS/2-OS/2 Version) |
| QCMP093. STERIMOL: Verloop Parameters for QSAR |
| QCMP094. MOLYROO: An Interactive Molecular Drawing Program |
| QCMP095. CLB: Command Line Builder |
| QCMP096. PARST88: Molecular Parameters from Crystal Analyses |
| QCMP097. ROTENERA/ROTENERB: Molecular Potential Energy Calculations |
| QCMP098. ASYROTOR: Asymmetric Rotor Energy Levels |
| QCMP099. STOINTG: Integrals Over Slater Orbitals |