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

作者: R.H. Judge , Dennis J. Clouthier

DOI: 10.1016/S0010-4655(00)00233-2

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摘要: Abstract A new version of the Asyrot program has been written to extend computational limits J=999 and K a =450 include octic, M , N centrifugal distortion constants. The number transitions calculated fitted is limited only by available computer memory. Two phases have added so that parameters single state can be refined forming combination differences then fitting them, along with any microwave lines, appropriate Hamiltonian. Windows interface integrated Fortran code greatly facilitate editing input data. based band contour plotting comparison feature added. utility features are also available. first allows for easy transfer observed line frequencies corresponding transition quantum labels listed in file. second summation several spectra, different bands or isotopomers, into an overall which compared spectrum.

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