Výsledky vyhledávání - "D W, Schwenke"

Construction of a coarse-grain quasi-classical trajectory method. I. Theory and application to N

Autor: R L, Macdonald, R L, Jaffe, D W, Schwenke, M, Panesi

Publikováno v: The Journal of chemical physics. 148(5)

This work aims to construct a reduced order model for energy transfer and dissociation in non-equilibrium nitrogen mixtures. The objective is twofold: to present the Coarse-Grain Quasi-Classical Trajectory (CG-QCT) method, a novel framework for const

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::726f526ee9fd7b8d9cd2b482377b67fc
https://pubmed.ncbi.nlm.nih.gov/29421898

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Akademický článek

MARVEL analysis of high-resolution rovibrational spectra of ¹⁶ O ¹² C ¹⁸ O.

Autor: Alatoom D; AstroJo Institute, Amman, Jordan.; Department of Physics and Astronomy, University College London, London, UK.; Department of Physics, The University of Jordan, Amman, Jordan., Ibrahim MTI; AstroJo Institute, Amman, Jordan.; Department of Physics and Astronomy, University College London, London, UK., Furtenbacher T; HUN-REN-ELTE Complex Chemical Systems Research Group, Budapest, Hungary., Császár AG; HUN-REN-ELTE Complex Chemical Systems Research Group, Budapest, Hungary.; Institute of Chemistry, Eötvös Loránd University, Budapest, Hungary., Alghizzawi M; AstroJo Institute, Amman, Jordan.; Department of Physics and Astronomy, University College London, London, UK., Yurchenko SN; Department of Physics and Astronomy, University College London, London, UK., Azzam AAA; AstroJo Institute, Amman, Jordan.; Department of Physics, The University of Jordan, Amman, Jordan., Tennyson J; Department of Physics and Astronomy, University College London, London, UK.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2024 Nov 15; Vol. 45 (30), pp. 2558-2573. Date of Electronic Publication: 2024 Jul 12.

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Determination of opacity data bases for TiO and H2O

Autor: D. W. Schwenke, H. Partridge, S. R. Langhoff

Publikováno v: Symposium - International Astronomical Union. 178:295-303

Current ab initio methods for determining potential energy surfaces are discussed in relation to the TiO and H2O molecules, both of which make important contributions to the opacity of M-type stars. For the TiO molecule we discuss the determination o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::92b7f8ad47924c7055132153b30e54ab
https://doi.org/10.1017/s007418090000944x

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Akademický článek

MARVEL analysis of high-resolution rovibrational spectra of 13 C 16 O 2 .

Autor: Ibrahim MTI; AstroJo Institute, Amman, Jordan.; Department of Physics and Astronomy, University College London, London, UK., Alatoom D; AstroJo Institute, Amman, Jordan.; Department of Physics and Astronomy, University College London, London, UK., Furtenbacher T; HUN-REN-ELTE Complex Chemical Systems Research Group, Budapest, Hungary., Császár AG; ELTE Eötvös Loránd University, Institute of Chemistry, Budapest and HUN-REN-ELTE Complex Chemical Systems Research Group, Budapest, Hungary., Yurchenko SN; Department of Physics and Astronomy, University College London, London, UK., Azzam AAA; AstroJo Institute, Amman, Jordan.; Department of Physics, The University of Jordan, Amman, Jordan., Tennyson J; Department of Physics and Astronomy, University College London, London, UK.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2024 May 15; Vol. 45 (13), pp. 969-984. Date of Electronic Publication: 2024 Jan 08.

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