Articles with "calculation molecular" as a keyword



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Calculation of molecular line intensity in stellar atmospheres

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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… read more here.

Keywords: molecular line; calculation molecular; intensity stellar; line intensity ... See more keywords
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Rapid Calculation of Molecular Kinetics Using Compressed Sensing.

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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… read more here.

Keywords: calculation molecular; compressed sensing; using compressed; molecular kinetics ... See more keywords