Электронная библиотека (репозиторий) Томского государственного университета
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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
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