Global Rovibrational Analysis of HCCNC Based on Infrared and Millimeter-Wave Spectra

Simultaneous Analysis of the Rovibrational Levels υ4=1, 2, and 3 of HCCI and DCCI Based on Infrared Spectra

“…In a paper by Vigouroux et al (2), which has just appeared, global analysis has been applied to HCCNC. There the benefits of this procedure as well as the problems encountered are discussed.…”

The vibration–rotation spectrum of 12C2HD: new overtone bands and global vibrational analysis

“…(2), while others are higher order vibrational dependences in some of the parameters, defined in [59,60], and not further detailed here. We used a computer program package developed at Louvain for linear pentatomic molecules, described in [59,60], and adapted to tetratomic molecules to define the global model and perform the global fit of C 2 HD data. The resulting constants are listed in Table 9, while the corresponding obs. )…”

“…It should be noted that, as in [60], the constants are written in Table 9 as they are printed from the global fitting program. The reader is referred to the formulas of [59] for the more precise description of each of the constants listed in Table 9.…”

“…As fully detailed in [59], adequate constraints and procedures are set to deal with the very large set of parameters during the least squares procedure. They allow to successfully converge towards the most numerically and physically valuable parameters in the model, to reproduce the fitted set of data.…”

Vibration–rotation alchemy in acetylene (12C2H2), at low vibrational excitation: from high resolution spectroscopy to fast intramolecular dynamics

“…We include in this concept the states whose energy results from all of the diagonal matrix elements in the global model, in the symmetrised e/f basis set as defined by Fayt and coworkers 57 . Therefore, the implicit definition used here is that the zeroth order states are Eigenstates are labeled using Roman numerals, numbered from lowest energy to highest.…”