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QCPE
Main / Catalog / Section07


74. POT: One-Dimensional Vibrational Energy Levels and Amplitudes
107. MOSCOW: Kronig-Kramers Transform Program
113. VIBROT: Vibrational-Rotational Spectroscopic Constants Calculations
164. MOSTR: Molecular Parameter for Diatomic Molecules Calculated from Infrared Spectral Data in the 2 to 15 Micron Region
203. FDBVM: Numerical Eigenvalues and Matrix Elements for the Quantum Mechanical Radial Equation
204. PERTEN: One-Dimensional Vibrational Energy Levels by Perturbation
212. DECON: For Removing the Broadening of Spectra Due to Instrumental Effects
260. NOMULT: Number of Multiplets in a Transition Array
270. ASYROTOR: The Asymmetric Rotor Energy Levels Computer Program
276. MOSSBR: Curve-Fitting Program for Mössbauer Spectra
280. DIPOMO: Dipole Moment Calculation
287. POLYGON: Geometrical Construction of a Polygon Representing Planar Aromatic Molecules
288. RING: A Coordinate Transformation Program for Evaluating the Degree and Type of Puckering of a Ring Compound
366. LASER CAVITY: A Program to Aid in the Design of a Four-Mirror Laser Having a Tightly Focused Beam in Two of Its Three Segments
367. QUADRUPOLE: A Mössbauer Point Charge Program
399. MORSEX: Matrix Elements in a Basis of Morse-Oscillator Eigenfunctions
426. PAIRS: Program for the Analysis of Infrared Spectra
435. CDIST: Centrifugal Distortion Constants for Diatomic Molecules
579. LPT: Linear Predictive Single Value Decomposition of Decaying Sinusoids for Spectral Analysis in NMR
262. MASSPEC: Mass Spectroscopy Isotope Program
266. High Ionizing Voltage, Low Resolution Mass Spectrometric Analysis of Gas Oil Aromatic Fractions
271. FIMS: Least-Squares Fitted Fractional Abundance of Isotopes
294. IPPKS: The Prediction of Mass Spectrum Isotope Peaks
296. ELAL: An Interactive Minicomputer-Based Elemental Analysis of Low- and Medium-Resolution Mass Spectra
298. PEEKS: A Computer Program for the Quantitative Prediction of Isotope Abundancies for a Molecule or Fragment
299. Coordination Compound Analysis Program
300. UDRAW: Molecular Structure Input Program Using a CRT Terminal
301. MOLFOR: Elemental Compositions Program
324. HEAVY: Estimation of Per Cent of Labeled Isotope in a Labeled Molecule
326. MOLWT: Molecular Weight
341. Chemical Analysis Program
392. JKNIFE: A Nonparametric Statistical Test of Variance
473. CLUSTR: Isotope Cluster Prediction Program
477. INTENSITY: Transition Probabilities for Diatomic Molecules
497. PAIRS: Program for the Analysis of Infrared Spectra (VAX Version)
515. URIMIR: Unimolecular Reactions Induced by Monochromatic Infrared Radiation



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