List of works - Andrei Nikitin

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

article

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)).

scientific article published on 25 November 2015

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

scientific article published in July 2014

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

scientific article published on 27 November 2013

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

scientific article published on March 2015

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

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

scientific article published on 01 June 2012

Corrigendum to “Titan’s surface and atmosphere from Cassini/VIMS data with updated methane opacity” [Icarus 226 (2013) 470–486]

scientific article

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

scientific article published on 01 August 2020

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

scientific article published on 11 May 2015

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

scientific article published on 30 April 2013

High resolution spectroscopy and the first global analysis of the Tetradecad region of methane 12CH4

scientific article published on 29 May 2013

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

scientific article published in 2022

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

article

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

scientific article published on 01 November 2018

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

scientific article published in 2022

Publisher's Note: "Highly excited vibrational levels of methane up to 10 300 cm: Comparative study of variational methods" [J. Chem. Phys. 149, 124305 (2018)]

article

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

scientific article published on 01 May 2019

The 1997 spectroscopic GEISA databank

The 2009 edition of the GEISA spectroscopic database

The 2015 edition of the GEISA spectroscopic database

Titan’s surface and atmosphere from Cassini/VIMS data with updated methane opacity

scientific article

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

scientific article published on 01 June 2009

List of works by Andrei Nikitin

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

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)).

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

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

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

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

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

Corrigendum to “Titan’s surface and atmosphere from Cassini/VIMS data with updated methane opacity” [Icarus 226 (2013) 470–486]

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

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

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

High resolution spectroscopy and the first global analysis of the Tetradecad region of methane 12CH4

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

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

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

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

Publisher's Note: "Highly excited vibrational levels of methane up to 10 300 cm: Comparative study of variational methods" [J. Chem. Phys. 149, 124305 (2018)]

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

The 1997 spectroscopic GEISA databank

The 2009 edition of the GEISA spectroscopic database

The 2015 edition of the GEISA spectroscopic database

Titan’s surface and atmosphere from Cassini/VIMS data with updated methane opacity

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