TheoReTS–An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces

M Rey, AV Nikitin, YL Babikov, VG Tyuterev - Journal of Molecular …, 2016 - Elsevier
Abstract Knowledge of intensities of rovibrational transitions of various molecules and theirs
isotopic species in wide spectral and temperature ranges is essential for the modeling of …

Total internal partition sums for the HITRAN2020 database

RR Gamache, B Vispoel, M Rey, A Nikitin… - Journal of Quantitative …, 2021 - Elsevier
Total internal partition sums (TIPS) are reported for the 181 isotopologues of 57 molecules
important in planetary atmospheres. Molecules 1 to 55, with the exception of# 34 atomic …

Precise ro-vibrational analysis of molecular bands forbidden in absorption: the ν8+ ν10 band of the 12C2H4 molecule

ON Ulenikov, OV Gromova, ES Bekhtereva… - Journal of Molecular …, 2015 - Elsevier
The highly accurate (experimental accuracy in line positions∼(1-2)× 10-4 cm− 1) ro-
vibrational spectrum of the ν 8+ ν 10 band of the 12 C 2 H 4 molecule was recorded for the …

High resolution spectroscopic study of C2H4: re-analysis of the ground state and ν4, ν7, ν10, and ν12 vibrational bands

ON Ulenikov, OV Gromova, YS Aslapovskaya… - Journal of Quantitative …, 2013 - Elsevier
We report here the results of high accurate,(1− 2)× 10− 4cm− 1, ro-vibrational analysis of the
ethylene molecule in the region of 640–1535cm− 1. More than 1110, 5060, 4670, and 2900 …

High resolution FTIR study of the ν7+ ν10− ν10 and ν10+ ν12− ν10 “hot” bands of C2H4

ON Ulenikov, OV Gromova, ES Bekhtereva… - Journal of Quantitative …, 2014 - Elsevier
Two weak “hot” absorption bands, ν 7+ ν 10− ν 10 and ν 10+ ν 12− ν 10, of ethylene, C 2 H
4, were analyzed for the first time with high resolution using the Fourier transform …

High resolution ro-vibrational analysis of interacting bands ν4, ν7, ν10, and ν12 of 13C2H4

ON Ulenikov, OV Gromova, ES Bekhtereva… - Journal of Quantitative …, 2015 - Elsevier
Abstract High accurate,~ 1× 10− 4 cm− 1, ro-vibrational spectra of the C 2 13 H 4 molecule
in the region of 600–1600 cm− 1 were recorded with Bruker IFS 120/125 HR Fourier …

Field-free molecular alignment of asymmetric top molecules using elliptically polarized laser pulses

A Rouzée, S Guérin, O Faucher, B Lavorel - Physical Review A—Atomic …, 2008 - APS
We show theoretically that a short specific elliptically polarized laser pulse driving an
asymmetric top molecule can induce postpulse revivals of three-dimensional (3D) …

Study of the high resolution FTIR spectrum of CH2CD2 in the region of 1300–1450 cm− 1: The ν12 (A1) and 2ν10 (A1) bands

ON Ulenikov, OV Gromova, ES Bekhtereva… - Journal of Quantitative …, 2015 - Elsevier
The high resolution IR spectrum of the CH 2 CD 2 ethylene isotopomer was recorded and
analyzed in the region of 1300–1450 cm− 1, where the strongly interacting bands ν 12 (A 1) …

A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels

T Delahaye, A Nikitin, M Rey, PG Szalay… - The Journal of …, 2014 - pubs.aip.org
In this paper we report a new ground state potential energy surface for ethylene (ethene) C 2
H 4 obtained from extended ab initio calculations. The coupled-cluster approach with the …

High resolution study of the ν5 + ν12 band of C2H4

ON Ulenikov, GA Onopenko, ES Bekhtereva… - Molecular …, 2010 - Taylor & Francis
The combination band ν5+ ν12 of ethylene, C2H4, has been recorded for the first time with a
high resolution Fourier transform spectrometer Bruker IFS 125HR. Assignments of …