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Published in 2018 at "Publications of the Astronomical Society of Australia"
DOI: 10.1017/pasa.2018.33
Abstract: Abstract Molecular line intensity calculations are not a straightforward task. We present a description of the basics for including molecular lines in synthetic spectra and of the input data needed. We aim both at describing…
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Keywords:
molecular line;
calculation molecular;
intensity stellar;
line intensity ... See more keywords
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Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00089
Abstract: Recent methods for the analysis of molecular kinetics from massive molecular dynamics (MD) data rely on the solution of very large eigenvalue problems. Here we build upon recent results from the field of compressed sensing…
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Keywords:
calculation molecular;
compressed sensing;
using compressed;
molecular kinetics ... See more keywords