An extended version of “ASYROT”

Published: 1 January 1994| Version 1 | DOI: 10.17632/5gydbtvr2z.1
C. Zauli


Abstract Program ASYROT, written by F.W. Birss and D.A. Ramsay for computer mainframes as an aid to high resolution spectral analysis of rotovibronic singlet-singlet transitions, has been modified to extend the applicability to larger molecules, and to adapt it for use on desktop DOS machines. The upper limits of quantum numbers J and K_ahave been increased from 100 and 50 to 144 and 100, respectively, to meet the requirements of high resolution affordable nowadays, and to simulate band contours of ... Title of program: Frasyrot Catalogue Id: ACPS_v1_0 Nature of problem To compute rotational transitions between two singlet states of any molecule and to perform fitting of experimental lines. Versions of this program held in the CPC repository in Mendeley Data ACPS_v1_0; Frasyrot; 10.1016/0010-4655(94)90194-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics