First principles intensity calculations of the methane rovibrational spectra in the infrared up to 9300 cm−1

New dipole moment surfaces of methane

(2013) Andrei V. Nikitin et al.   CHEMICAL PHYSICS LETTERS

Predictions for methane spectra from potential energy and dipole moment surfaces: Isotopic shifts and comparative study of 13CH4 and 12CH4

(2013) Michaël Rey et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

HOT METHANE LINE LISTS FOR EXOPLANET AND BROWN DWARF ATMOSPHERES

(2012) Robert J. Hargreaves et al.   ASTROPHYSICAL JOURNAL

The application of new methane line absorption data to Gemini-N/NIFS and KPNO/FTS observations of Uranus’ near-infrared spectrum

(2012) P.G.J. Irwin et al.   ICARUS

Calibration-quality adiabatic potential energy surfaces for H3+ and its isotopologues

(2012) Michele Pavanello et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles calculations of rovibrational energies, dipole transition intensities and partition function for ethylene using MULTIMODE

(2012) Stuart Carter et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio calculation of the rotational spectrum of methane vibrational ground state

(2012) P. Cassam-Chenaï et al.   JOURNAL OF CHEMICAL PHYSICS

Complete nuclear motion Hamiltonian in the irreducible normal mode tensor operator formalism for the methane molecule

(2012) Michaël Rey et al.   JOURNAL OF CHEMICAL PHYSICS

Refinements of the WKMC empirical line lists (5852–7919cm−1) for methane between 80K and 296K

(2012) A. Campargue et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Extension of the MIRS computer package for the modeling of molecular spectra: From effective to full ab initio ro-vibrational Hamiltonians in irreducible tensor form

(2012) A.V. Nikitin et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Line lists for H218O and H217O based on empirical line positions and ab initio intensities

(2012) Lorenzo Lodi et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

New assignments in the 2μm transparency window of the 12CH4 Octad band system

(2012) L. Daumont et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Reinvestigation of the ν2 + 2ν3subband in the overtone icosad of12CH4using cavity ring-down (CRD) spectroscopy of a supersonic jet expansion

(2012) Carine Manca Tanner et al.   MOLECULAR PHYSICS

Comparison of line-by-line and band models of near-IR methane absorption applied to outer planet atmospheres

(2011) L.A. Sromovsky et al.   ICARUS

Ab initio effective rotational Hamiltonians: A comparative study

(2011) P. Cassam-Chenaï et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Accurate ab initio determination of the adiabatic potential energy function and the Born–Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologues

(2011) Filip Holka et al.   JOURNAL OF CHEMICAL PHYSICS

Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO

(2011) Csaba Fábri et al.   JOURNAL OF CHEMICAL PHYSICS

The 2009 edition of the GEISA spectroscopic database

(2011) N. Jacquinet-Husson et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

The absorption spectrum of methane at 80 and 294K in the icosad (6717–7589cm−1): Improved empirical line lists, isotopologue identification and temperature dependence

(2011) Le Wang et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

The fourth age of quantum chemistry: molecules in motion

(2011) Attila G. Császár et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Applications of a new set of methane line parameters to the modeling of Titan’s spectrum in the 1.58μm window

(2011) Catherine de Bergh et al.   PLANETARY AND SPACE SCIENCE

Rotational and vibrational energy levels of methane calculated from a new potential energy surface

(2010) Andrei V. Nikitin et al.   CHEMICAL PHYSICS LETTERS

The high-resolution far-infrared spectrum of methane at the SOLEIL synchrotron

(2010) V. Boudon et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Virtual atomic and molecular data centre

(2010) M.L. Dubernet et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

First assignment of the 5ν4 and ν2+4ν4 band systems of 12CH4 in the 6287–6550cm−1 region

(2010) A.V. Nikitin et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Ab initioro-vibrational Hamiltonian in irreducible tensor formalism: a method for computing energy levels from potential energy surfaces for symmetric-top molecules

(2010) M. Rey et al.   MOLECULAR PHYSICS

A ground-based near-infrared emission spectrum of the exoplanet HD 189733b

(2010) Mark R. Swain et al.   NATURE

Direct absorption transitions to highly excited polyads 8, 10, and 12 of methane

(2010) D. A. Sadovskií et al.   PHYSICAL REVIEW A

Ab initio modeling of molecular IR spectra of astrophysical interest: application to CH4

(2009) R. Warmbier et al.   ASTRONOMY & ASTROPHYSICS

Vibration energy levels of the PH3, PH2D, and PHD2 molecules calculated from high order potential energy surface

(2009) Andrei V. Nikitin et al.   JOURNAL OF CHEMICAL PHYSICS

Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE

(2009) Stuart Carter et al.   JOURNAL OF CHEMICAL PHYSICS

A Variationally ComputedT= 300 K Line List for NH3†

(2009) Sergei N. Yurchenko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The HITRAN 2008 molecular spectroscopic database

(2009) L.S. Rothman et al.   JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER

Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800cm−1

(2008) S. Albert et al.   CHEMICAL PHYSICS

Global Analysis of the Infrared Spectrum of 13CH4: Lines in the Region 0 to 3200 cm–1

(2008) Hans-Martin Niederer et al.   CHIMIA