UNIMOL: A program for Monte Carlo simulation of RRKM unimolecular decomposition in molecular beam experiments

Published: 1 January 1982| Version 1 | DOI: 10.17632/44mmhkgjyn.1
K. Rynefors


Abstract Title of program: UNIMOL Catalogue number: AAoA Program obtainable form: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM 3033N; Installation: Gothenburg Universities' Computing Centre Operating system: OS MVS-SP1, JES2 Programming language used: FORTRAN High speed storage required: 120832 words No. of bits in a word: 32 Overlay structure: none Peripherals used: card reader, line printer, card punch No of cards in combined progr... Title of program: UNIMOL Catalogue Id: AAOA_v1_0 Nature of problem Reactive and nonreactive absolute angular distributions are measured in crossed molecular beam experiments. Absolute cross sections and branching ratios can be determined in the experiment only with some form of simulation algorithm. Versions of this program held in the CPC repository in Mendeley Data AAOA_v1_0; UNIMOL; 10.1016/0010-4655(82)90074-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics