Rey M - Search Results

1

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

Rey M, Chizhmakova IS, Nikitin AV, Tyuterev VG. Rey M, et al. Phys Chem Chem Phys. 2021 Jun 2;23(21):12115-12126. doi: 10.1039/d0cp05727d. Phys Chem Chem Phys. 2021. PMID: 34032236

2

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

Rey M, Tyuterev VG. Rey M, et al. Phys Chem Chem Phys. 2007 May 28;9(20):2538-48. doi: 10.1039/b700044h. Epub 2007 Apr 3. Phys Chem Chem Phys. 2007. PMID: 17508086

3

A periodic orbit bifurcation analysis of vibrationally excited isotopologues of sulfur dioxide and water molecules: symmetry breaking substitutions.

Mauguiere F, Rey M, Tyuterev V, Suarez J, Farantos SC. Mauguiere F, et al. Among authors: rey m. J Phys Chem A. 2010 Sep 16;114(36):9836-47. doi: 10.1021/jp1030569. J Phys Chem A. 2010. PMID: 20825241

4

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

Szalay PG, Holka F, Fremont J, Rey M, Peterson KA, Tyuterev VG. Szalay PG, et al. Among authors: rey m. Phys Chem Chem Phys. 2011 Mar 7;13(9):3654-9. doi: 10.1039/c0cp01334j. Epub 2010 Dec 21. Phys Chem Chem Phys. 2011. PMID: 21180724

5

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

Holka F, Szalay PG, Fremont J, Rey M, Peterson KA, Tyuterev VG. Holka F, et al. Among authors: rey m. J Chem Phys. 2011 Mar 7;134(9):094306. doi: 10.1063/1.3555758. J Chem Phys. 2011. PMID: 21384968

6

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

Rey M, Nikitin AV, Tyuterev VG. Rey M, et al. J Chem Phys. 2012 Jun 28;136(24):244106. doi: 10.1063/1.4730030. J Chem Phys. 2012. PMID: 22755564

A rovibrational model based on the normal-mode complete nuclear Hamiltonian is applied to methane using our recent potential energy surface [A. V. Nikitin, M. Rey, and Vl. G. Tyuterev, Chem. Phys. Lett. 501, 179 (2011)]. ...

A rovibrational model based on the normal-mode complete nuclear Hamiltonian is applied to methane using our recent potential energy surface …

7

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

Rey M, Nikitin AV, Tyuterev VG. Rey M, et al. Phys Chem Chem Phys. 2013 Jul 7;15(25):10049-61. doi: 10.1039/c3cp50275a. Epub 2013 Apr 30. Phys Chem Chem Phys. 2013. PMID: 23632448

8

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

Tyuterev V, Tashkun S, Rey M, Kochanov R, Nikitin A, Delahaye T. Tyuterev V, et al. Among authors: rey m. J Phys Chem A. 2013 Dec 19;117(50):13779-805. doi: 10.1021/jp408116j. Epub 2013 Nov 27. J Phys Chem A. 2013. PMID: 24131356

9

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

Rey M, Nikitin AV, Tyuterev VG. Rey M, et al. J Chem Phys. 2014 Jul 28;141(4):044316. doi: 10.1063/1.4890956. J Chem Phys. 2014. PMID: 25084919

10

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

Delahaye T, Nikitin A, Rey M, Szalay PG, Tyuterev VG. Delahaye T, et al. Among authors: rey m. J Chem Phys. 2014 Sep 14;141(10):104301. doi: 10.1063/1.4894419. J Chem Phys. 2014. PMID: 25217910

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