المؤلفون: Zapadinsky, Evgeni, Passananti, Monica, Myllys, Nanna, Kurten, Theo, Vehkamäki, Hanna

المساهمون: INAR Physics, Institute for Atmospheric and Earth System Research (INAR), Department of Chemistry

مصطلحات موضوعية: PHASE-SPACE THEORY, UNIMOLECULAR GAS REACTIONS, STATISTICAL EVAPORATION, POLYATOMIC SYSTEMS, ROTATING CLUSTERS, SULFURIC-ACID, ENERGY, Chemical sciences, Physical sciences

وصف الملف: application/pdf

Relation: We thank the ERC Projects 692891-DAMOCLES and 638703-COALA, the Academy of Finland, and the ATMATH Project, for funding, and the CSC-IT Center for Science in Espoo, Finland, for computational resources. N.M. thanks the Jenny and Antti Wihuri foundation for financial support.; Zapadinsky , E , Passananti , M , Myllys , N , Kurten , T & Vehkamäki , H 2019 , ' Modeling on Fragmentation of Clusters inside a Mass Spectrometer ' , Journal of Physical Chemistry A , vol. 123 , no. 2 , pp. 611-624 . https://doi.org/10.1021/acs.jpca.8b10744; ORCID: /0000-0002-5018-1255/work/53824407; ORCID: /0000-0002-6416-4931/work/53827513; ORCID: /0000-0003-0384-7277/work/53828656; ORCID: /0000-0003-4053-1191/work/53828676; http://hdl.handle.net/10138/298779; 8c1c17b2-4a19-40b8-be7f-bf611852e5a5; 85060161828; 000456350900020

الاتاحة: http://hdl.handle.net/10138/298779

المؤلفون: Li, Yang, Klippenstein, Stephen J., Zhou, Chong-Wen, Curran, Henry J.

المساهمون: Saudi Aramco, Science Foundation Ireland, U.S. Department of Energy

مصطلحات موضوعية: ACTIVE THERMOCHEMICAL TABLES, UNIMOLECULAR GAS REACTIONS, COMPOUND METHODS CBS-QB3, GAUSSIAN-BASIS SETS, HYDROGEN-ATOMS, CHEMICAL-REACTIONS, RATE CONSTANTS, MOLECULAR CALCULATIONS, FORMATION ENTHALPIES, DENSITY FUNCTIONALS

وصف الملف: application/pdf

Relation: Journal Of Physical Chemistry A; Li, Yang, Klippenstein, Stephen J., Zhou, Chong-Wen, & Curran, Henry J. (2017). Theoretical Kinetics Analysis for Ḣ Atom Addition to 1,3-Butadiene and Related Reactions on the Ċ4H7 Potential Energy Surface. The Journal of Physical Chemistry A, 121(40), 7433-7445. doi:10.1021/acs.jpca.7b05996; http://hdl.handle.net/10379/14794

الاتاحة: http://hdl.handle.net/10379/14794
https://doi.org/10.1021/acs.jpca.7b05996

المؤلفون: Monica Passananti, Theo Kurtén, Hanna Vehkamäki, Nanna Myllys, Evgeni Zapadinsky

المساهمون: INAR Physics, Institute for Atmospheric and Earth System Research (INAR), Department of Chemistry

المصدر: The Journal of Physical Chemistry. a
The Journal of Physical Chemistry A

مصطلحات موضوعية: PHASE-SPACE THEORY, 116 Chemical sciences, 010402 general chemistry, Mass spectrometry, 01 natural sciences, 114 Physical sciences, Article, ENERGY, Fragmentation (mass spectrometry), SULFURIC-ACID, Electric field, 0103 physical sciences, Cluster (physics), Molecule, STATISTICAL EVAPORATION, Physical and Theoretical Chemistry, Nuclear Experiment, POLYATOMIC SYSTEMS, ROTATING CLUSTERS, 010304 chemical physics, Atmospheric pressure, Chemistry, Residual carrier, 0104 chemical sciences, UNIMOLECULAR GAS REACTIONS, Measuring instrument, Atomic physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::072d52f8a82234b232b91a346d9547ed
http://hdl.handle.net/10138/298779

المؤلفون: Henry J. Curran, Yang Li, Stephen J. Klippenstein, Chong-Wen Zhou

المساهمون: Saudi Aramco, Science Foundation Ireland, U.S. Department of Energy

مصطلحات موضوعية: CHEMICAL-REACTIONS, Double bond, Kinetics, DENSITY FUNCTIONALS, 010402 general chemistry, HYDROGEN-ATOMS, 01 natural sciences, 7. Clean energy, Chemical reaction, COMPOUND METHODS CBS-QB3, Chemical kinetics, FORMATION ENTHALPIES, chemistry.chemical_compound, Reaction rate constant, RATE CONSTANTS, Computational chemistry, 0103 physical sciences, ACTIVE THERMOCHEMICAL TABLES, Physical and Theoretical Chemistry, chemistry.chemical_classification, 010304 chemical physics, GAUSSIAN-BASIS SETS, Flame speed, MOLECULAR CALCULATIONS, Butene, 0104 chemical sciences, chemistry, 13. Climate action, Potential energy surface, UNIMOLECULAR GAS REACTIONS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f05f84d3d2d6e4af49837f8d999b13f
http://hdl.handle.net/10379/14794