High-level ab initio study of disulfur monoxide: Ground state potential energy surface and band origins for six isotopic species |
232 |
231 |
1 |
Methane High-T partition function from contact transformations and variational calculations |
793 |
956 |
169 |
Atlas of experimental and theoretical high-temperature methane cross sections from T = 295 to 1000 K in the near-infrared |
809 |
805 |
3 |
Ab initio calculations of energy levels and ro-vibrational spectra for SiH4 molecule |
2763 |
3023 |
291 |
Convergence of normal mode variational calculations of methane spectra: Theoretical linelist in the icosad range computed from potential energy and dipole moment surfaces |
962 |
965 |
4 |
First theoretical global line lists of ethylene (12C2H4) spectra for the temperature range 50-700 K in the far-infrared for quantification of absorption and emission in planetary atmospheres |
1692 |
2014 |
342 |
First-principles calculation of energy levels and spectra for AB4, ABC3 type molecules |
2168 |
2372 |
211 |
TheoReTS - An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces |
2522 |
2517 |
6 |
The HITRAN2020 molecular spectroscopic database |
2189 |
2179 |
2 |
Fourier transform 12CH3D spectra in the region 3800 - 8000 cm-1. Direct comparison to ab initio calculation |
3776 |
3979 |
264 |
Modeling of CRDS 12CH4 spectra at 80аK in the 6539-6800 cm-1 region |
10471 |
10562 |
225 |
Understanding global infrared opacity and hot bands of greenhouse molecules with low vibrational modes from first-principles calculations: the case of CF4 |
440 |
442 |
3 |
Present status and perspectives of line-by-line analysis of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1 |
3769 |
3910 |
243 |
Measurements and modeling of cold 13CH4 spectra in the 3750-4700 cm-1 region |
4794 |
4742 |
6 |
Total internal partition sums for the HITRAN2020 database |
432 |
434 |
2 |
Line list for NF3 molecule in the 1750–1950 cm-1 region |
1564 |
1556 |
3 |
The 13CH4 absorption spectrum in the Icosad range (66007692 cm1) at 80 K and 296 K: Empirical line lists and temperature dependence |
11531 |
11335 |
5 |
Theoretical hot methane line lists up to T=2000 K for astrophysical applications |
797 |
944 |
154 |
First principles calculation of energy levels and spectra for AB4, ABC3 type molecules |
950 |
1194 |
263 |
Ab initio variational predictions for high-resolution laser spectroscopy: Assignment of 107 new sub-bands of methane in the Icosad range 6280-7800 cm-1 |
4241 |
4463 |
253 |
Measurements and modeling of long-path 12CH4 spectra in the 4800–5300cm-1 region |
2955 |
2907 |
7 |
Methane high-temperature partition function from contact transformations and variational calculations |
1828 |
1817 |
5 |
Preliminary analysis of the interacting pentad bands (ν2+2ν4,ν2+ν3,4ν2,ν1+2ν2,2ν1) of CF4 in the 16000-1800cm-1 region |
3025 |
2977 |
3 |
Theoretical Reims-Tomsk Spectroscopic line lists (TheoReTS) for molecules of planetological and astrophysical interes |
8058 |
8091 |
200 |
First principles calculation of rovibrational spectra for SiH4 molecule |
1516 |
1728 |
232 |
Accurate line intensities of methane from first-principles calculations |
991 |
982 |
4 |
Fourier Transform Spectroscopy of two trace gases namely Methane and Carbon monoxide for planetary and atmospheric research application |
2068 |
2372 |
325 |
Present status and perspectives of line-by-line analyses of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1 |
1221 |
1376 |
166 |
Analyses and modeling of the 12CH4 spectrum at 80K between 6539 and 6800 cm-1 |
9771 |
9692 |
6 |
The methane absorption spectrum near 1.73 µm (5695–5850 cm−1): Empirical line lists at 80 K and 296 K and rovibrational assignments |
2258 |
2239 |
4 |
Accurate first-principles spectra predictions for ethylene from full 12D ab initio surfaces |
2731 |
2913 |
205 |
An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules |
1036 |
1253 |
224 |
Improved line list of 12CH4 in the 3760–4100 cm−1 region |
3742 |
3678 |
3 |
Improved line list of 12CH4 in the 4100–4300 cm−1 region |
832 |
825 |
2 |
Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopome |
642 |
640 |
4 |
Accurate first-principles calculations for (CH3D)-C-12 infrared spectra from isotopic and symmetry transformations |
1173 |
1177 |
7 |
Accurate ab inition predictions of methane spectra up to 12000 cm-1 at various T-conditions |
2163 |
2335 |
185 |
High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models |
216 |
218 |
2 |
Modelling of the 2ν1-ν1 and ν1 band transitions of 13CH4 using high resolution Raman spectroscopy measurements |
458 |
453 |
2 |
Assignment and modeling of the 13CH4 cold absorption spectrum in the 5471–5852 cm−1 spectral range |
1080 |
1077 |
4 |
Combining ab initio, variational and contact transformation methods for accurate spectra predictions: from three- to six-atomic molecules |
7713 |
7962 |
343 |
The 2020 edition of the GEISA spectroscopic database |
5612 |
5499 |
2 |
Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres |
1107 |
1100 |
2 |
Ab initio calculation of ro-vibrational spectra for GeH4 molecule |
1568 |
1791 |
240 |
Measurement and modelling of cold 13CH4 spectra from 2.1 to 2.7 μm |
7027 |
7090 |
161 |
Assignment and modeling of the spectrum of 13CH4 recorded at 80 K between 5853 and 6200 cm-1 |
29825 |
29802 |
265 |
Assignment and modelling of 12CH4 spectra in the 5550-5695, 5718-5725 and 5792-5814 cm-1 regions |
5370 |
5267 |
4 |
Full-dimensional potential energy and dipole moment surfaces of GeH4 molecule and accurate first-principle rotationally resolved intensity predictions in the infrared |
1793 |
1781 |
8 |
Vibrational levels of formaldehyde: Calculations from new high precision potential energy surfaces and comparison with experimental band origins |
408 |
407 |
2 |
The 13CH4 absorption spectrum at 80 K: Assignment and modeling of the lower part of the Tetradecad in the 4970–5470 cm−1 spectral range |
1461 |
1454 |
4 |
Ro-vibrational levels and their (e-f) splitting of acetylene molecule calculated from new potential energy surfaces |
197 |
199 |
2 |
Ab initio variational predictions for understanding highly congested spectra: rovibrational assignment of 108 new methane sub-bands in the icosad range (6280–7800 cm-1) |
4785 |
4746 |
5 |
Convergence and isotopic studies of methane spectra by global variational calculations |
1962 |
2152 |
201 |
Methane high-T partition function from contact transformations and variational calculations |
3701 |
3891 |
231 |
First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3 |
760 |
756 |
3 |
Assignment and modeling of 13CH4 from 5853 to 6200 cm-1: preliminary results |
5194 |
5446 |
284 |
New accurate theoretical line lists of 12CH4 and 13CH4 in the 0-13400 cm-1 range: Application to the modeling of methane absorption in Titan's atmosphere |
1133 |
1133 |
4 |
GOSAT-2014 methane spectral line list |
1307 |
1301 |
5 |
First fully ab initio potential energy surface of methane with a spectroscopic accuracy |
1066 |
1486 |
442 |
Highly exited molecular states: challenge for spectroscopy, dynamics and astrophysics |
3629 |
3828 |
231 |