II. Program for calculating triply degenerate Raman bands of spherical tops with an adaptation for infrared bands

Published: 1 January 1971| Version 1 | DOI: 10.17632/vp93phnv6x.1
F.N. Masri, I.R. Williams


Title of program: VIBROT II Catalogue Id: AAGE_v1_0 Nature of problem The program VIBROT II calculates the triply degenerate vibration- rotation bands of spherical top molecules in the gas-phase infrared or Raman spectrum. It is thus the analogue of the program VIBROT I (CPC 1 (1970) 349) for symmetric top molecules and will be useful for band analysis in spherical tops in a corresponding way to VIBROT I for symmetric tops. ADAPTATION SUMMARY: Vol:Year:Page 2:1971:88 "0001ADAPT VIBROT II FOR INFRARED" "II. Program for calculating triply degenerate Raman ban ... 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)



Physical Chemistry, Molecular Physics, Computational Physics