II. A Fortran program for calculating degenerate Raman bands of spherical tops with an adaptation for infrared bands

Published: 1 August 1971| Version 1 | DOI: 10.17632/mmhdgvwbn4.1
Contributors:
F.N. Masri, I.R. Williams

Description

Abstract Title of program: FORTRAN VIBROT II Catalogue number: AAGG Program available from: CPC Program Library, Queen's University of Belfast, Northern Ireland (see application form in this issue) Computer for which the program is designed and others upon which it is operable Computer: IBM 1130. Installation: Knoxville College, Knoxville, Tennessee, USA Operating system or monitor under which the program is executed: OS 1130 Programming languages used: FORTRAN IV High speed store required: 4000 words... Title of program: FORTRAN VIBROT II Catalogue Id: AAGE_v2_0 [AAGG] Nature of problem This program solves the same physical problem as program VIBROT II (CPC 1 (1971) 87. The orginal program has been translated into Fortran IV from Algol. The logic, the test data and the output format are all virtually the same. ADAPTATION SUMMARY: Vol:Year:Page 2:1971:299 "0001 VIBROT II FOR INFRARED" "II. A FORTRAN program for calculating degenerate Raman bands of spherical tops with an adaptation for infrared bands." F.N. Masri; I.R. Williams Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAGE_v2_0; FORTRAN VIBROT II; 10.1016/0010-4655(71)90006-3 AAGE_v1_0; VIBROT II; 10.1016/0010-4655(71)90018-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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Physical Chemistry, Molecular Physics, Computational Physics

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