|
46. SYMPRO: Symmetry Projection Program
|
|
47. POLYATOM: Program Set for Non-Empirical Molecular Calculations
|
|
125. LOCOSY: Floating Spherical Gaussian Orbital Model Calculations
|
|
129. LSDIAG: L-S Eigenfunctions by Direct Diagonalization
|
|
145. Columbia University Molecular Properties Program
|
|
173. HEDIAG: Diatomic Molecule Symmetry Eigenfunctions by Direct Diagonalization
|
|
181. PROJECT: Eigenfunctions of Spin and Orbital Angular Momentum by the Projection Operator Technique
|
|
199. POLYATOM (Version 2): System of Programs for Quantitative Theoretical Chemistry
|
|
233. OEDM: One-Electron Diatomic Molecules
|
|
236. GAUSSIAN 70: Ab Initio SCF-MO Calculations on Organic Molecules
|
|
237. GAUSFIT: Gaussian Fit to Slater Orbitals
|
|
238. POLYATOM: Version II (IBM 360)
|
|
239. SMALLíBE: Ab Initio Gaussian Lobe SCF Closed- Shell Program
|
|
251. POTLSURF: A Program to Compute the Potential Energy Surface between a Closed-Shell Molecule and an Atom
|
|
263. SAMOS: Simulated Ab Initio Molecular Orbital System
|
|
328. BIGGMOLI: Molecular Integrals Package
|
|
330. BOYLOC: Boys' Localization
|
|
335. MULTIBOND (Version A): Ab Initio Multistructure Valence-Bond Calculational System
|
|
346. SCEP: A Computer Program for the Method of Self- Consistent Electron Pairs
|
|
347. SAF: Symmetry-Adapted Functions or Cubic Harmonics for Molecules of Octahedral (Oh) or Tetrahedral (Td) Symmetry
|
|
354. LOCAL: Boys' Localization Routine
|
|
360. DENPOT PROGRAMS
|
|
376. SPINCIP: SCF-MO-CI Program
|
|
386. POPLOC: Population Localized Molecular Orbitals
|
|
388. ANO: A Program for the Determination of Approximate External Natural Orbitals
|
|
402. IDEM: A Program to Construct an Idempotent First- Order Density Matrix from One-Electron Properties
|
|
407. Systems for the Numerical Solution of the Radial Schroedinger Equation
|
|
411. CHARGES: Calculation of Charge on an Atom and Off-Center Charges Using Ab Initio Wave Functions
|
|
422. SCEP: Method of Self-Consistent Electron Pairs
|
|
427. FORCE/DRVEXP: Analytical Energy Derivatives and Gradients Package
|
|
434. HPSI: Solution of the One-Dimensional Radial Schroedinger Equation
|
|
436. G70DATA and LAOIM
|
|
439. RHO1: First-Order Density Matrices
|
|
446. GAUSSIAN 80 UCSF
|
|
449. ABGENON: Open-Shell SCF Program
|
|
459. RPAC: Electronic Excitation Properties in the Random Phase Approximation
|
|
483. DENPOT/80: Electron Density for Gaussian 80
|
|
490. MEPHISTO: A Program for the Calculation of Molecular Electrostatic Potentials Including Polarization Corrections
|
|
500. GAUSSIAN 80: IBM Version II
|
|
503. IDS: Atomic Initial Density Subroutine
|
|
504. NBO: Natural Bond-Orbital Wavefunction Analysis Program
|
|
524. CHELP: A Program for the Calculation of Net Atomic Charges from Ab Initio Electrostatic Potentials
|
|
525. GAUSSIAN 80: IBM VERSION III (CMS)
|
|
538. KGNMOL-1989: Ab-Initio Gaussian-Based MO SCF System
|
|
544. HONDO: Ab Initio HFMO Calculations (Version 7.0)
|
|
556. RPAC: Electronic Excitation Properties and Nuclear Shielding in the Random Phase Approximation System (Version 8.2)
|
|
568. PDM88: Least-Squares Net Atomic Charges or Site Multipoles from the Surrounding Molecular Electric Potential (Gaussian-86 Version with Restricted Bond Dipoles)
|
|
572. AMPGAUSS: AMPAC to GAUSSIAN Interface Program
|
|
577. CRYSTAL 88: An Ab Initio All-Electron LCAO-Hartree- Fock Program for Periodic Systems
|
|
580. MELDF: Gaussian-Based System for AB Initio Calculations
|
|
582. PENTE: Molecular Optimization Driver
|
|
585. MAGOPS: One-Electron Operator Program
|
|
587. Atomic Self-Consistent-Field Program by the Basis-Set Expansion Method (Bielefeld Version)
|
|
600. PRODEN: A New Electron Density Analysis Program
|
|
603. NOEL: Number of Overlapping Electrons - A Molecular Similarity Index
|
