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20142024
most citedExoMol molecular line lists XXX: a complete high-accuracy line list for water

645 citations · 1.5k across the 19 of their papers we have counts for

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10 papers · 1 filter

physics.chem-ph2022★ 5 cited

Sub-percent accuracy for the intensity of a near infrared water line at 10670 cm: experiment and analysis

Tom M. Rubin, Marian Sarrazin, Nikolai F. Zobov +2

Laser measurements of the intensity of (201) 3 -- (000) 2 near-infrared water absorption line at 10670.1 \cm\ are made using three different Herriott cells. These mea…

physics.chem-ph2021★ 4 cited

Variational analysis of HF dimer tunneling rotational spectra using an ab initio potential energy surface

Oleg L. Polyansky, Roman I. Ovsyannikov, Jonathan Tennyson +4

A very accurate, (HF) potential energy surface (PES) due to Huang et al. (J. Chem. Phys., 150, 154302 (2019)) is used to calculate the energy levels of the HF dimer by solving…

physics.chem-ph2018★ 22 cited

A global potential energy surface for H

I. I. Mizus, O. L. Polyansky, Laura K. McKemmish +3

A globally correct potential energy surface (PES) for the \hp\ molecular ion is presented. The Born-Oppenheimer (BO) \ai\ grid points of Pavanello et. al. [\textit{J. Chem. Phys.}…

physics.chem-ph2018★ 14 cited

A new spectroscopically-determined potential energy surface and \emph{ab initio} dipole moment surface for high accuracy HCN intensity calculations

Vladimir Yu. Makhnev, Aleksandra A. Kyuberis, Oleg L. Polyansky +3

Calculations of transition intensities for small molecules like HO, CO, CO based on s high-quality potential energy surface (PES) and dipole moment surface (DMS) can nowada…

physics.chem-ph2018★ 34 cited

High accuracy water potential energy surface for the calculation of infrared spectra

Irina I. Mizus, Aleksandra A. Kyuberis, Nikolai F. Zobov +3

Transition intensities for small molecules such as water and CO can now be computed with such high accuracy that they are being used to systematically replace measurements in s…

physics.chem-ph2017★ 21 cited

An experimental water line list at 1950 K in the 6250 -- 6670 \cm\ region

Lucile Rutkowski, Aleksandra Foltynowicz, Florian M. Schmidt +7

An absorption spectrum of HO at 1950 K is recorded in a premixed methane/air flat flame using a cavity-enhanced optical frequency comb-based Fourier transform spectromet…

physics.chem-ph2017★ 17 cited

High accuracy calculations of the rotation-vibration spectrum of H

Jonathan Tennyson, Oleg L. Polyansky, Nikolai F. Zobov +2

Calculation of the rotation-vibration spectrum of H3+, as well as of its deuterated isotopologues, with near-spectroscopic accuracy requires the development of sophisticated theore…

physics.chem-ph2016★ 50 cited

Definitive ideal-gas thermochemical functions of the HO molecule

Tibor Furtenbacher, Tamás Szidarovszky, Jan Hruby +5

(), of the HO molecule is reported for temperatures between 0 and 6000 K. Determination of () is principally based on the direct summatio…

physics.chem-ph2015★ 20 cited

Visible line intensities of the triatomic hydrogen ion from experiment and theory

Annemieke Petrignani, Max H. Berg, Florian Grussie +7

The visible spectrum of H3+ is studied using high-sensitivity action spectroscopy in a cryogenic radiofrequency multipole trap. Advances are made to measure the weak ro-vibrational…

physics.chem-ph2014★ 20 cited

QED correction for H

Lorenzo Lodi, Oleg L. Polyansky, Jonathan Tennyson +2

A quantum electrodynamics (QED) correction surface for the simplest polyatomic and polyelectronic system H is computed using an approximate procedure. This surface is used to…