Structural and spectroscopic characterization of methyl isocyanate, methyl cyanate, methyl fulminate, and acetonitrile N-oxide using highly correlated ab initio methods-Reference-Cited by-同舟云学术

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Structural and spectroscopic characterization of methyl isocyanate, methyl cyanate, methyl fulminate, and acetonitrile N-oxide using highly correlated ab initio methods

Published:2016-09-28 Issue:12 Volume:145 Page:124309
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Dalbouha S.¹²,Senent M. L.¹,Komiha N.²^ORCID,Domínguez-Gómez R.³

Affiliation:

1. Departamento de Química y Física Teóricas, Instituto de Estructura de la Materia, IEM-CSIC, Serrano 121, Madrid 28006, Spain

2. LS3ME-Equipe de chimie théorique et Modélisation, Faculté des Sciences Rabat-Université Mohammed V, 4 Avenue Ibn Battouta B.P. 1014 RP, Rabat, Morocco

3. E.T.S. de Ingeniería Civil, Universidad Politécnica de Madrid, Alfonso XII, 3-5, Madrid 28014, Spain

Funder

European Commission (EC)

European Cooperation in Science and Technology (COST)

Secretaría de Estado de Investigación, Desarrollo e Innovación (SEIDI)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4963186

Reference45 articles.

1. D. R. Lide, CRC Handbook of Chemistry and Physics 86th Edition 2005-2006 (CRC Press, Taylor & Francis, Boca Raton, FL, 2005), pp. 3–356.

2. Philae's First Days on the Comet

3. INTERSTELLAR DETECTION OF METHYL ISOCYANATE CH 3 NCO IN Sgr B2(N): A LINK FROM MOLECULAR CLOUDS TO COMETS

4. A rigorous detection of interstellar CH3NCO: An important missing species in astrochemical networks

5. The millimeter wave spectrum of methyl cyanate: a laboratory study and astronomical search in space

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2. Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH₃COCHO) and Methyl Vinyl Ketone (CH₃COCH═CH₂);The Journal of Physical Chemistry A;2022-09-30

3. Explicitly correlated study of the torsional vibrations of HSOSH molecule. Comparison with MP2/CBS(T,Q) level of theory;Molecular Crystals and Liquid Crystals;2022-04-23

4. Theoretical spectroscopic study of acetyl (CH3CO), vinoxy (CH2CHO), and 1-methylvinoxy (CH3COCH2) radicals. Barrierless formation processes of acetone in the gas phase;Open Research Europe;2022-03-18

5. Theoretical spectroscopic study of acetyl (CH3CO), vinoxy (CH2CHO), and 1-methylvinoxy (CH3COCH2) radicals. Barrierless formation processes of acetone in the gas phase;Open Research Europe;2021-09-30

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