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182. DIATH2: A Computer Aid for Studying the Quantum Mechanics of the Chemical Bond
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196. TITRATE: A Program for Titration Simulation
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213. HYDRGN: Quantum Mechanical Bonding in the Hydrogen Molecule
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343. NIKE: Numerical Integration of Kinetic Equations
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115. Linear Least-Squares Fitting of Weighted Data
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139. Perturbation Calculation
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147. FRS3: FORTRAN REAL SORT Version 3
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155. AFIT: Molecular Orbital Calculations by the Jacobi Method
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156. ALEGEN: Values of Associated Legendre Functions
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190. APER: Seventh-Order Nondegenerate Double- Perturbation Calculation
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193. Self-Consistent Charge and Configuration Calculations on Inorganic Compounds
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194. CONVERT: IBM 360 FORTRAN Programs to CDC 6600 FORTRAN Conversion
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206. SUPERCIS: Urey-Bradley Five-Atom Configuration
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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
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230. FITIT: Non-Linear Least-Squares Fit
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231. NEPROP: Subroutines for Numerical Propagation of Uncertainties
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289. FORCE-2: Address, Storage, and Module Management Subroutines
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302. Dynamic Array Assignment in FORTRAN
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303. ENERGY: Atomic Energy Levels by Screening Parameter Formalism
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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
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313. MOMAP: A Subroutine for Producing Contour Maps of MO Amplitudes
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317. FFORM: Subroutine to Handle Format-Free Input
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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
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320. FACTANAL: Target-Transformation Factor Analysis
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321. NLCAL: Nonlinear Calibration
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322. 1D/2D/3D: Cubic Spline Interpolation Package
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357. LINEAR and NONLINEAR: A Set of Programs to Calculate the Classical Pressure Second Virial of Linear and Nonlinear Molecules
|
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362. DIAGRAM: Generation of Goldstone and Bloch- Brandow Diagrams to 5th Order
|
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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)
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374. PFORT Verifier
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384. MICMEN: Michaelis-Menten Enzyme Kinetics
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405. FF (Flexible Formatting) Package
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413. SAREA: Van der Waals (and Accessible) Surface Area of Molecules
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429. Molecular Surface Program
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444. MATH: Math Processing Facility
|
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445. RISMIX: An Extension of Lowden's Program (QCPE 306) to Solve the RISM Equation for Multicomponent Molecular Fluids
|
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475. DNAMAP: DNA Sequence Manipulation and Analysis Package
|
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478. SPLINE: Tensioned Spline Fit Program
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480. IONPIT: Pitzer Ion Interaction Approach
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494. MOHELP: A General Input Utility (HELP UTILITY)
|
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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
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|
574. PFIP: Portable FORTRAN Implementation of PRISM
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|
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
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313. MOMAP: A Subroutine for Producing Contour Maps of MO Amplitudes
|
|
369. APLPLOT: Computer Plotting System
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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)
|
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583. MOLECULE: GKS Graphical Display Package
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