AsyrotWin: A 32-bit Windows version of Asyrot, A program for the analysis of high resolution singlet-singlet band spectra of asymmetric tops

Published: 15 April 2001| Version 1 | DOI: 10.17632/xf7jp7zbfm.1
R.H. Judge, Dennis J. Clouthier


Abstract A new version of the Asyrot program has been written to extend the computational limits to J = 999 and K_a= 450 and to include the octic, M_K , and N_Kcentrifugal distortion constants. The number of transitions calculated and fitted is limited only by available computer memory. Two new phases have been added to the program so that the parameters of a single state can be refined by forming combination differences and then fitting them, along with any available microwave lines, to the appro... Title of program: AsyrotWin Catalogue Id: ADNL_v1_0 Nature of problem Least squares refinement of spectroscopic constants from high resolution rotationally resolved spectra. Versions of this program held in the CPC repository in Mendeley Data ADNL_v1_0; AsyrotWin; 10.1016/S0010-4655(00)00233-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics