Coupled-cluster study of the equilibrium geometry and harmonic vibrational frequencies of the methyl radical-Reference-Cited by-同舟云学术

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Coupled-cluster study of the equilibrium geometry and harmonic vibrational frequencies of the methyl radical

Published:2005 Issue:5 Volume:103 Page:649-653
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Roberto-Neto Orlando,Chakravorty Subhas,Machado Francisco B.C.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.20534/fullpdf

Reference24 articles.

1. ABSORPTION SPECTRUM OF FREE CH3 AND CD3 RADICALS

2. Diode laser study of the ν2 band of the methyl radical

3. http://webbook.nist.gov/chemistry

4. A force field analysis of the methyl radicalX̃ 2A‘2state stretching potential using the local mode—coupled Morse oscillator model

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1. Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical;The Journal of Chemical Physics;2015-12-28

2. Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO–, CH3 +, and CH3;Molecular Physics;2009-04-20

3. Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N(4S)+CH4→NH(X3Σ−)+CH3;Chemical Physics Letters;2006-12

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