M. Rey

发表

Assignment and modeling of the 13CH4 cold absorption spectrum in the 5471–5852 cm−1 spectral range

A. Nikitin, K. Sung, E. Starikova, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

High-sensitivity measurements of 12CH3D pure rotational lines in ground and excited vibrational states in the subTHz region

A. Nikitin, M. Koshelev, M. Rey, 2020, Journal of Quantitative Spectroscopy and Radiative Transfer.

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

Y. Babikov, A. Nikitin, V. Tyuterev, 2016 .

Orientation of O(3) and SU(2)⊗CI representations in cubic point groups (Oh,Td) for application to molecular spectroscopy

Vincent Boudon, V. Boudon, G. Pierre, 2003 .

Assignment and modeling of the absorption spectrum of 13CH4 at 80 K in the region of the 2ν3 band (5853–6201 cm−1)

A. Nikitin, S. Tashkun, V. Tyuterev, 2016 .

Accurate first-principles calculations for 12CH3D infrared spectra from isotopic and symmetry transformations.

A. Nikitin, V. Tyuterev, M. Rey, 2014, The Journal of chemical physics.

Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order contact transformations.

A. Nikitin, V. Tyuterev, T. Delahaye, 2013, The journal of physical chemistry. A.

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

A. Nikitin, V. Tyuterev, M. Rey, 2012, The Journal of chemical physics.

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

A. Nikitin, V. Tyuterev, J. Champion, 2012, 1201.2418.

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

A. Nikitin, V. Tyuterev, M. Rey, 2010 .

Atlas of Experimental and Theoretical High-temperature Methane Cross Sections from T = 295 to 1000 K in the Near-infrared

P. Bernath, A. Nikitin, V. Tyuterev, 2019, The Astrophysical Journal Supplement Series.

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)).

A. Nikitin, V. Tyuterev, M. Rey, 2016, Physical chemistry chemical physics : PCCP.

An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: tetrahedral molecules.

A. Nikitin, V. Tyuterev, M. Rey, 2015, The Journal of chemical physics.

First predictions of rotationally resolved infrared spectra of dideuteromethane ((12)CH2D2) from potential energy and dipole moment surfaces.

A. Nikitin, V. Tyuterev, M. Rey, 2015, The journal of physical chemistry. A.

First principles intensity calculations of the methane rovibrational spectra in the infrared up to 9300 cm(-1).

A. Nikitin, V. Tyuterev, M. Rey, 2013, Physical chemistry chemical physics : PCCP.

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

A. Nikitin, V. Tyuterev, M. Rey, 2013 .

Ab initio effective rotational Hamiltonians: A comparative study

A. Nikitin, S. Tashkun, V. Tyuterev, 2012 .

Analysis of the absorption spectrum of 12 CH 4 in the region 5855-6250 cm -1 of the 2ν 3 band

A. Nikitin, S. Tashkun, V. Tyuterev, 2017 .

Measurements and modeling of long-path 12 CH 4 spectra in the 5300-5550 cm -1 region

A. Nikitin, G. Toon, V. Tyuterev, 2014 .

Reduced matrix elements for collisionally induced transitions of 12CH4

V. Tyuterev, R. R. Gamache, M. Rey, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Tensorial development of the rovibronic Hamiltonian and transition moment operators for octahedral molecules

V. Boudon, M. Rey, M. Loete, 2001 .

Towards a complete elucidation of the ro-vibrational band structure in the SF6 infrared spectrum from full quantum-mechanical calculations.

A. Nikitin, V. Tyuterev, M. Rey, 2021, Physical chemistry chemical physics : PCCP.

The 13 CH 4 absorption spectrum at 80 K: Assignment and modeling of the lower part of the Tetradecad in the 4970-5470 cm -1 spectral range

A. Nikitin, K. Sung, A. Mantz, 2018 .

The methane absorption spectrum near 1.73 µm (5695–5850 cm−1): Empirical line lists at 80 K and 296 K and rovibrational assignments

A. Nikitin, M. Rey, D. Mondelain, 2018, Journal of Quantitative Spectroscopy and Radiative Transfer.

Analyses and modeling of the 12 CH 4 spectrum at 80 K between 6539 and 6800 cm -1

A. Nikitin, V. Tyuterev, M. Rey, 2016 .

Measurements and modeling of cold 13CH4 spectra in the 3750–4700 cm−1 region

L. Brown, A. Nikitin, S. Tashkun, 2016 .

Convergence of normal mode variational calculations of methane spectra: Theoretical linelist in the icosad range computed from potential energy and dipole moment surfaces

A. Nikitin, V. Tyuterev, M. Rey, 2015 .

The spectrum of an octahedral molecule in a degenerate electronic state: The ν6 fundamental band of jet-cooled V(CO)6

V. Boudon, L. Manceron, M. Rey, 2001 .

Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups

Jean-Paul Champion, Tony Gabard, Michel Loete, 2004 .

THEORETICAL HOT METHANE LINE LISTS UP TO T = 2000 K FOR ASTROPHYSICAL APPLICATIONS

A. Nikitin, V. Tyuterev, M. Rey, 2014 .

Line list for NF3 molecule in the 1750–1950 cm−1 region

A. Nikitin, M. Rey, L. Sinitsa, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

New accurate theoretical line lists of 12 CH 4 and 13 CH 4 in the 0-13400 cm- 1 range: Application to the modeling of methane absorption in Titan's atmosphere

A. Nikitin, V. Tyuterev, A. Coustenis, 2018 .

Methane high-temperature partition function from contact transformations and variational calculations

A. Nikitin, S. Tashkun, V. Tyuterev, 2015 .

Methane line parameters in the HITRAN2012 database

V. M. Devi, T. Carrington, I. Gordon, 2013 .

Line list of 12CH4 in the 4300–4600 cm−1 region

A. E. Protasevich, A. Nikitin, S. Tashkun, 2020, Journal of Quantitative Spectroscopy and Radiative Transfer.

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

A. Nikitin, V. Tyuterev, T. Delahaye, 2016 .

A global view of isotopic effects on ro-vibrational spectra of six-atomic molecules: a case study of eleven ethylene species.

A. Nikitin, T. Delahaye, M. Rey, 2020, Physical chemistry chemical physics : PCCP.

Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopomers.

A. Nikitin, V. Tyuterev, M. Rey, 2019, The Journal of chemical physics.

First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3D

A. Nikitin, M. Rey, T. Delahaye, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Internal- and rho-axis systems of molecules with one large amplitude internal motion: The geometry of rho.

V. Szalay, M. Rey, D. Viglaska, 2018, The Journal of chemical physics.

Isotopic and symmetry breaking effects on phosphine spectra under H → D substitutions from ab initio variational calculations.

A. Nikitin, V. Tyuterev, M. Rey, 2018, The Journal of chemical physics.

The Astrophysical Journal Supplement

I. Gordon, A. Nikitin, V. Tyuterev, 2020 .

Ro-vibrational levels and their (e-f) splitting of acetylene molecule calculated from new potential energy surfaces

A. E. Protasevich, A. Nikitin, V. Tyuterev, 2022, Journal of Quantitative Spectroscopy and Radiative Transfer.

New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations.

A. Nikitin, M. Rey, D. Viglaska, 2022, The journal of physical chemistry. A.

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

V. Tyuterev, P. Szalay, K. Peterson, 2011, The Journal of chemical physics.

Are ab initio quantum chemistry methods able to predict vibrational states up to the dissociation limit for multi-electron molecules close to spectroscopic accuracy?

V. Tyuterev, P. Szalay, K. Peterson, 2011, Physical chemistry chemical physics : PCCP.

The 13 CH 4 absorption spectrum in the Icosad range (6600-7692 cm -1 ) at 80 K and 296 K: Empirical line lists and temperature dependence

A. Nikitin, V. Tyuterev, E. Starikova, 2016 .

High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models

A. Nikitin, S. Tashkun, V. Tyuterev, 2022, Molecular Physics.

Analysis of PH 3 spectra in the Octad range 2733-3660 cm -1

A. Nikitin, S. Tashkun, G. Toon, 2017 .

Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications

A. Nikitin, V. Tyuterev, M. Rey, 2017 .

Derivation of ρ-dependent coordinate transformations for nonrigid molecules in the Hougen-Bunker-Johns formalism.

A. Nikitin, V. Tyuterev, M. Rey, 2020, The Journal of chemical physics.

Closed expressions for matrix elements of the trigonometric Pöschl-Teller potential

M. Rey, F. Michelot, 2010 .

Total Internal Partition Sums for the HITRAN2020 database

Iouli E. Gordon, Robert R. Gamache, Vincent Boudon, 2021 .

Formalism of the displaced squeezed Fock states for variational calculations of highly excited ro-vibrational levels: Diatomic molecules

V. Tyuterev, M. Rey, F. Michelot, 2008 .

Effective Hamiltonian approach to doubly degenerate electronic states

M. Rey, F. Michelot, 2007 .

Effective Hamiltonian approach to doubly degenerate electronic states

M. Rey, F. Michelot, 2005 .

$\mathsf{u(2) \supset su^*(2)\supset G}$ symmetry adaptation for powers of $\mathsf{E}$ irreducible representations of point groups

M. Rey, F. Michelot, 2004 .

First Full-Dimensional Potential Energy and Dipole Moment Surfaces of Sf6.

A. Nikitin, V. Tyuterev, M. Rey, 2020, The journal of physical chemistry. A.

Understanding global infrared opacity and hot bands of greenhouse molecules with low vibrational modes from first-principles calculations: the case of CF4.

A. Nikitin, V. Tyuterev, M. Rey, 2018, Physical chemistry chemical physics : PCCP.

Accurate line intensities of methane from first-principles calculations

A. Nikitin, V. Tyuterev, M. Rey, 2017 .

Full-Dimensional Potential Energy and Dipole Moment Surfaces of GeH4 Molecule and Accurate First-Principle Rotationally Resolved Intensity Predictions in the Infrared.

A. Nikitin, V. Tyuterev, B. Krishna, 2016, The journal of physical chemistry. A.

First fully ab initio potential energy surface of methane with a spectroscopic accuracy

A. Nikitin, V. Tyuterev, M. Rey, 2016 .

Accurate 12D dipole moment surfaces of ethylene

A. Nikitin, V. Tyuterev, T. Delahaye, 2015 .

Matrix elements for powers of x-dependent operators for the hyperbolic Pöschl–Teller potentials

M. Rey, F. Michelot, 2009 .

High order dipole moment surfaces of PH3 and ab initio intensity predictions in the Octad range

A. Nikitin, V. Tyuterev, M. Rey, 2014 .

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

A. Nikitin, V. Tyuterev, P. Szalay, 2014, The Journal of chemical physics.

New dipole moment surfaces of methane

A. Nikitin, V. Tyuterev, M. Rey, 2013 .

Adiabatic and non-adiabatic corrections to rovibrational energies of diatomic molecules: variational calculations with experimental accuracy.

V. Tyuterev, M. Rey, 2007, Physical chemistry chemical physics : PCCP.

An Accurate, Extensive, and Practical Line List of Methane for the HITEMP Database

I. Gordon, A. Nikitin, V. Tyuterev, 2020, The Astrophysical Journal Supplement Series.

High-level ab initio study of disulfur monoxide: ground state potential energy surface and band origins for six isotopic species

A. Nikitin, V. Tyuterev, M. Rey, 2022, Chemical Physics Letters.

New Ab Initio Potential Energy Surfaces for NH3 Constructed from Explicitly Correlated Coupled-Cluster Methods.

A. Nikitin, M. Rey, D. Viglaska, 2021, The journal of physical chemistry. A.

Vibrational levels of formaldehyde: Calculations from new high precision potential energy surfaces and comparison with experimental band origins

A. E. Protasevich, A. Nikitin, V. Tyuterev, 2020 .

Partition sums for non-local thermodynamic equilibrium conditions for nine molecules of importance in planetary atmospheres

A. Barbe, A. Nikitin, J. Tennyson, 2022, Icarus.

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

A. Nikitin, V. Tyuterev, M. Rey, 2012 .

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

A. Nikitin, V. Tyuterev, M. Rey, 2011 .

Non-LTE spectroscopy of the tetradecad region of methane recorded in a hypersonic flow

A. Nikitin, V. Tyuterev, R. Georges, 2023, Icarus.

Improved line list of 12CH4 in the 8850–9180 cm−1 region

A. E. Protasevich, A. Nikitin, V. Tyuterev, 2019 .

The vibrational levels of methane obtained from analyses of high-resolution spectra

V. Boudon, M. Rey, M. Loete, 2006 .

Analysis of Experimental Spectra of Phosphine in the Tetradecad Range Near

A. E. Protasevich, A. Nikitin, V. Tyuterev, 2023, SSRN Electronic Journal.

PRELIMINARY MODELING OF CH$_3$D FROM 4000 TO 4550 cm$^{-1}$

L. R. Brown, Keeyoon Sung, Arlan W. Mantz, 2012 .

Theoretical modelling of the methane absorption spectrum for planetary applications

V. Boudon, A. Nikitin, V. Tyuterev, 2011 .

Preliminary assignments of 2ν3–ν4 hot band of 12CH4 in the 2 μm transparency window from long-path FTS spectra

L. Brown, A. Nikitin, V. Tyuterev, 2011 .

Preliminary analysis of the interacting pentad bands (ν2+2ν4,ν2+ν3,4ν2,ν1+2ν2,2ν1) of CF4 in the 1600 – 1800 cm−1 region

A. Nikitin, V. Tyuterev, M. Rey, 2019, Journal of Quantitative Spectroscopy and Radiative Transfer.

Resolution of a convergence problem in direct-potential-fit data analyses : Applications to GaH(X1Σ+) and ArH+(X1Σ+)

R. L. Roy, V. Tyuterev, M. Rey, 2006 .

Highly excited vibrational levels of methane up to 10 300 cm-1: Comparative study of variational methods.

A. E. Protasevich, A. Nikitin, V. Tyuterev, 2018, The Journal of chemical physics.

Application of quasi-degenerate perturbation theory to the calculation of rotational energy levels of methane vibrational polyads.

Y. Bouret, G. Rousseau, M. Rey, 2015, The Journal of chemical physics.

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

V. Boudon, L. Brown, A. Nikitin, 2013 .

Group-theoretical formulation of an Eckart-frame kinetic energy operator in curvilinear coordinates for polyatomic molecules.

M. Rey, 2019, The Journal of chemical physics.

Open-shell octahedral molecules: a first insight into the full rovibronic problem

Vincent Boudon, M. Rey, M. Loete, 2004, Symposium on High-Resolution Molecular Spectroscopy.

Su(4) approach to fourfold degenerate electronic states of some hexafluoride molecules

V. Boudon, M. Rey, F. Michelot, 2003 .

Global modeling of NF3 line positions and intensities from far to mid-infrared up to 2200 cm−1

A. Nikitin, V. Tyuterev, M. Rey, 2019 .

Novel methodology for systematically constructing global effective models from ab initio-based surfaces: A new insight into high-resolution molecular spectra analysis.

M. Rey, 2022, The Journal of chemical physics.

A numerical-tensorial "hybrid" nuclear motion Hamiltonian and dipole moment operator for spectra calculation of polyatomic nonrigid molecules.

M. Rey, D. Viglaska, Oleg Egorov, 2023, The Journal of chemical physics.

Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet ( X~3B1) methylene

M. Rey, D. Viglaska, Oleg Egorov, 2023, J. Comput. Chem..

Analysis of experimental spectra of phosphine in the Tetradecad range near 2.3 μm using ab initio calculations.

A. Nikitin, V. Tyuterev, M. Rey, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.