Reaction Pathways, Thermodynamics, and Kinetics of Cyclopentanone Oxidation Intermediates: A Theoretical Approach
Khanniche, Sarah, Green, William H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.11.2019)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.11.2019)
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Journal Article
Computational study of the I2O5+H2O=2 HOIO2 gas-phase reaction
Khanniche, Sarah, Louis, Florent, Cantrel, Laurent, Černušák, Ivan
Published in Chemical physics letters (01.10.2016)
Published in Chemical physics letters (01.10.2016)
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Journal Article
Kinetics of Intramolecular Phenyl Migration and Fused Ring Formation in Hexylbenzene Radicals
Khanniche, Sarah, Lai, Lawrence, Green, William H
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.12.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.12.2018)
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Journal Article
Atomistic models of hydroxylated, ethoxylated and methylated silica surfaces and nitrogen adsorption isotherms: A molecular dynamics approach
Khanniche, Sarah, Mathieu, Didier, Pereira, Franck, Hairault, Lionel
Published in Microporous and mesoporous materials (15.09.2017)
Published in Microporous and mesoporous materials (15.09.2017)
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Journal Article
Molecular dynamics simulation of gaseous nitroaromatic compounds interacting with silica surfaces under various humidity conditions
Khanniche, Sarah, Mathieu, Didier, Barthet, Christelle, Pereira, Franck, Hairault, Lionel
Published in Applied surface science (15.10.2018)
Published in Applied surface science (15.10.2018)
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Journal Article
A theoretical study of the microhydration of iodic acid (HOIO2)
Khanniche, Sarah, Louis, Florent, Cantrel, Laurent, Černušák, Ivan
Published in Computational and theoretical chemistry (15.10.2016)
Published in Computational and theoretical chemistry (15.10.2016)
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Journal Article
Quantitative evaluation of the responses of a gravimetric gas sensor based on mesoporous functionalized silica: Application to 2,4-DNT and TNT detection
Khanniche, Sarah, Mathieu, Didier, Pereira, Franck, Frenois, Céline, Colin, Delphine, Barthet, Christelle, Hairault, Lionel
Published in Sensors and actuators. B, Chemical (01.09.2017)
Published in Sensors and actuators. B, Chemical (01.09.2017)
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Journal Article
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone
Zhang, Kuiwen, Lokachari, Nitin, Ninnemann, Erik, Khanniche, Sarah, Green, William H., Curran, Henry J., Vasu, Subith S., Pitz, William J.
Published in Proceedings of the Combustion Institute (2019)
Published in Proceedings of the Combustion Institute (2019)
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Journal Article
A Density Functional Theory and ab Initio Investigation of the Oxidation Reaction of CO by IO Radicals
Khanniche, Sarah, Louis, Florent, Cantrel, Laurent, Černušák, Ivan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2016)
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Journal Article
Oxidation and pyrolysis of methyl propyl ether
Johnson, Matthew S., Nimlos, Mark R., Ninnemann, Erik, Laich, Andrew, Fioroni, Gina M., Kang, Dongil, Bu, Lintao, Ranasinghe, Duminda, Khanniche, Sarah, Goldsborough, S. Scott, Vasu, Subith S., Green, William H.
Published in International journal of chemical kinetics (01.08.2021)
Published in International journal of chemical kinetics (01.08.2021)
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Journal Article
An experimental, theoretical, and modeling study of the ignition behavior of cyclopentanone
Zhang, Kuiwen, Lokachari, Nitin, Ninnemann, Erik, Khanniche, Sarah, Green, William H., Curran, Henry J., Vasu, Subith S., Pitz, William J.
Published in Proceedings of the Combustion Institute (05.07.2018)
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Published in Proceedings of the Combustion Institute (05.07.2018)
Journal Article
Reactivity of Hydrogen Peroxide with Br and I Atoms
Fortin, Camille, Khanniche, Sarah, Khiri, Dorra, Fèvre-Nollet, Valérie, Lebègue, Patrick, Cousin, Frédéric, Černušák, Ivan, Louis, Florent
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.02.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.02.2018)
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Journal Article
Oxidation and pyrolysis of methyl propyl ether
Johnson, Matthew S., Nimlos, Mark R., Ninnemann, Erik, Laich, Andrew, Fioroni, Gina M., Kang, Dongil, Bu, Lintao, Ranasinghe, Duminda, Khanniche, Sarah, Goldsborough, S. Scott, Vasu, Subith S., Green, William H.
Published in International journal of chemical kinetics (17.05.2021)
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Published in International journal of chemical kinetics (17.05.2021)
Journal Article
Unraveling the Tropospheric Microhydration Processes of Iodous Acid HOIO
Taamalli, Sonia, Khiri, Dorra, Suliman, Siba, Khanniche, Sarah, Černušák, Ivan, Cantrel, Laurent, Ribaucour, Marc, Louis, Florent
Published in ACS earth and space chemistry (16.01.2020)
Published in ACS earth and space chemistry (16.01.2020)
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Journal Article