[HTML][HTML] The HITRAN2020 molecular spectroscopic database

IE Gordon, LS Rothman, RJ Hargreaves… - Journal of quantitative …, 2022 - Elsevier
The HITRAN database is a compilation of molecular spectroscopic parameters. It was
established in the early 1970s and is used by various computer codes to predict and …

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 …

Novel Criteria to Provide a Locality/Normality Degree in Molecules and Their Relevance in Physical Chemistry

E Suárez, O Guzmán-Juárez, R Lemus - Molecules, 2024 - pmc.ncbi.nlm.nih.gov
In contrast to the traditional analysis of molecules using local mode behavior, where the
degree of locality is given through a function in terms of Morse potential parameters, new …

High resolution FTIR spectroscopy of germane: First study of 76GeH4 in the region of Tetrad of the strongly interacting ν1+ ν2, ν1+ ν4, ν2+ ν3 and ν3+ ν4 ro–vibrational …

ON Ulenikov, OV Gromova, ES Bekhtereva… - … Acta Part A: Molecular …, 2022 - Elsevier
The infrared spectra of germane, purified and enriched up to 88.1% of 76 GeH 4, was
measured at the temperature of (22.6±0.1)° C and different pressures with a Bruker Fourier …

High-Resolution spectroscopy and analysis of the fundamental modes of 28SiF4. Accurate experimental determination of the Si− F bond length

V Boudon, C Richard, L Manceron - Journal of Molecular Spectroscopy, 2022 - Elsevier
Silicon tetrafluoride (Si F 4) is a trace component of volcanic gases and is gaining industrial
importance. However, a better knowledge of spectroscopic parameters is needed for this …

High-resolution far-infrared spectroscopy and analysis of the ν3 and ν6 bands of chloromethane

P Hardy, C Richard, V Boudon, MV Khan… - Journal of Quantitative …, 2023 - Elsevier
Ro-vibrational spectra of the ν 3 and ν 6 bands of chloromethane (CH 3 Cl) were recorded in
the 650–1130 cm− 1 range using a Fourier transform spectrometer at the AILES beamline of …

High resolution infrared spectra of neopentane: Rovibrational analysis of bands at 8.3–6.4 μm

A Pastorek, P Bernath, V Boudon - Journal of Quantitative Spectroscopy …, 2023 - Elsevier
Abstract High resolution (0.0014 cm− 1) infrared spectra of neopentane (2, 2-
dimethylpropane) have been recorded at 203 K at the Canadian Light Source. Spectra were …

Thermodynamic functions of germane isotopologues AGeH4 (A= 70, 72, 73, 74, 76) calculated from high-resolution IR spectra

IA Velmuzhova, MA Koshelev, AP Velmuzhov… - Journal of Molecular …, 2024 - Elsevier
Standard thermodynamic functions of germane isotopologues 70 GeH 4, 72 GeH 4, 73 GeH
4, 74 GeH 4, and 76 GeH 4 are calculated in “harmonic oscillator–rigid rotator” and …

Effective and equilibrium structures of XYn-type molecules: SCl2, PF2, PO2, ZrO2, and CF2S as additional example and nonbonded distances F… F, Cl… Cl and O …

J Demaison, N Vogt - Journal of Molecular Spectroscopy, 2022 - Elsevier
When the effective structure (r 0) of a molecule can be determined without isotopic
substitution, as for the XY n molecules, it is possible to correct this structure using an offset in …

[图书][B] Equilibrium Structure of Free Molecules: Theory, Experiment, and Data Analysis

N Vogt, J Demaison - 2023 - books.google.com
The properties of chemical, pharmaceutical, and biological compounds depend mainly on
their molecular structure, whose determination is of fundamental interest. This book …