Molecular spectroscopy Molecular spectroscopy
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Binary relation of sources

Transitions. Representation of binary relations between data sources

Analysis of Binary Relations (|ω12|max, RMSD, Ordering)
Molecule
Choice of vibrational band.
i-initial and f-final state
ν1f ν2f ν3f ν4f l4f ν5f l5f ν6f l6f ν1i ν2i ν3i ν4i ν4i ν5i ν5i ν6i ν6i
Type of data source
Expert Data
Reference Data
Choice of the physical process initiated spectrum
Absorption
Emission
Task
Task A. Maximum difference between wavenumbers in a pair of identical transitions (|ω12|max)

Task C1. Computation of permutations number A00
Task C2. Computation of A01 coefficient
Task C3. Computation of A10 coefficient
Type of data representation
Tabular representation
Color Map

Rectangular Matrix (triangular default)
Display only sources unsatisfying this restriction
Hide values of binary relations
Data source numbers (Color Map only)


INTAS grants 00-189, 03-51-3394, RFBR grants 02-07-90139, 05-07-90196, 08-07-00318