A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 10, Pages 104301
Publisher
AIP Publishing
Online
2014-09-09
DOI
10.1063/1.4894419
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- THEORETICAL HOT METHANE LINE LISTS UP TOT= 2000 K FOR ASTROPHYSICAL APPLICATIONS
- (2014) M. Rey et al. ASTROPHYSICAL JOURNAL
- Adaptive sparse grid expansions of the vibrational Hamiltonian
- (2014) D. Strobusch et al. JOURNAL OF CHEMICAL PHYSICS
- Spectroscopy of planetary atmospheres in our Galaxy
- (2013) Giovanna Tinetti et al. ASTRONOMY AND ASTROPHYSICS REVIEW
- New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range
- (2013) Vladimir G. Tyuterev et al. JOURNAL OF CHEMICAL PHYSICS
- High-resolution Fourier transform infrared spectrum of the ν11 band of ethylene (12C2H4)
- (2013) G.B. Lebron et al. JOURNAL OF MOLECULAR SPECTROSCOPY
- Accurate Spectroscopic Models for Methane Polyads Derived from a Potential Energy Surface Using High-Order Contact Transformations
- (2013) Vladimir Tyuterev et al. JOURNAL OF PHYSICAL CHEMISTRY A
- High resolution spectroscopic study of C2H4: Re-analysis of the ground state and , , , and vibrational bands
- (2013) O.N. Ulenikov et al. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
- MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre
- (2013) Yaye Awa Ba et al. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
- The HITRAN2012 molecular spectroscopic database
- (2013) L.S. Rothman et al. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
- First principles intensity calculations of the methane rovibrational spectra in the infrared up to 9300 cm−1
- (2013) Michaël Rey et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- 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
- 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
- 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
- Using a pruned basis, a non-product quadrature grid, and the exact Watson normal-coordinate kinetic energy operator to solve the vibrational Schrödinger equation for C2H4
- (2011) Gustavo Avila et al. JOURNAL OF CHEMICAL PHYSICS
- Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections
- (2011) Xinchuan Huang et al. JOURNAL OF CHEMICAL PHYSICS
- The ν12 band of C2D4
- (2011) T.L. Tan et al. JOURNAL OF MOLECULAR SPECTROSCOPY
- 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
- High-resolution spectroscopy and preliminary global analysis of C–H stretching vibrations of C2H4 in the 3000 and 6000cm−1 regions
- (2010) M.A. Loroño Gonzalez 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
- High resolution study of the ν5+ ν12band of C2H4
- (2010) O.N. Ulenikov et al. MOLECULAR 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?
- (2010) Péter G. Szalay et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- 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
- An Approach to Include the Effects of Diffuse Functions in Potential Energy Surface Calculations†
- (2009) Xinchuan Huang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A new ab initio ground-state dipole moment surface for the water molecule
- (2008) Lorenzo Lodi et al. JOURNAL OF CHEMICAL PHYSICS
- Vibrational energy levels of methyl chloride calculated from full dimensional ab initio potential energy surface
- (2008) Andrei Vladimirovich Nikitin JOURNAL OF MOLECULAR SPECTROSCOPY
- Line positions and intensities in the band of ethylene near : An experimental and theoretical study
- (2008) M. Rotger et al. JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started