Formation of benzene in the interstellar medium
Jones, Brant M., Zhang, Fangtong, Kaiser, Ralf I., Jamal, Adeel, Mebel, Alexander M., Cordiner, Martin A., Charnley, Steven B., Crim, F. Fleming
Published in Proceedings of the National Academy of Sciences - PNAS (11.01.2011)
Published in Proceedings of the National Academy of Sciences - PNAS (11.01.2011)
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Journal Article
A Comparative Study of Modern Homology Modeling Algorithms for Rhodopsin Structure Prediction
Nikolaev, Dmitrii M, Shtyrov, Andrey A, Panov, Maxim S, Jamal, Adeel, Chakchir, Oleg B, Kochemirovsky, Vladimir A, Olivucci, Massimo, Ryazantsev, Mikhail N
Published in ACS omega (31.07.2018)
Published in ACS omega (31.07.2018)
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Journal Article
Unimolecular Reaction Pathways of a γ‑Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
Grambow, Colin A, Jamal, Adeel, Li, Yi-Pei, Green, William H, Zádor, Judit, Suleimanov, Yury V
Published in Journal of the American Chemical Society (24.01.2018)
Published in Journal of the American Chemical Society (24.01.2018)
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Journal Article
Global investigation of potential energy surfaces for the pyrolysis of C 1 –C 3 hydrocarbons: toward the development of detailed kinetic models from first principles
Ryazantsev, Mikhail N., Jamal, Adeel, Maeda, Satoshi, Morokuma, Keiji
Published in Physical chemistry chemical physics : PCCP (2015)
Published in Physical chemistry chemical physics : PCCP (2015)
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Journal Article
A combined crossed molecular beam and theoretical investigation of the reaction of the meta-tolyl radical with vinylacetylene--toward the formation of methylnaphthalenes
Yang, Tao, Muzangwa, Lloyd, Kaiser, Ralf I, Jamal, Adeel, Morokuma, Keiji
Published in Physical chemistry chemical physics : PCCP (01.01.2015)
Published in Physical chemistry chemical physics : PCCP (01.01.2015)
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Journal Article
Unimolecular Reaction Pathways of a γ-Ketohydroperoxide from Combined Application of Automated Reaction Discovery Methods
Grambow, Colin A., Jamal, Adeel, Li, Yi-Pei, Green, William H., Zádor, Judit, Suleimanov, Yury V.
Published in Journal of the American Chemical Society (22.12.2017)
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Published in Journal of the American Chemical Society (22.12.2017)
Journal Article
An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation
Han, Kehang, Jamal, Adeel, Grambow, Colin A., Buras, Zachary J., Green, William H.
Published in International journal of chemical kinetics (01.04.2018)
Published in International journal of chemical kinetics (01.04.2018)
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Journal Article
Global investigation of potential energy surfaces for the pyrolysis of C1-C3 hydrocarbons: toward the development of detailed kinetic models from first principlesElectronic supplementary information (ESI) available: Table S1 gives optimized Cartesian coordinates, energies at the UM06-2X/cc-pVTZ and UCCSD(T)-F12/cc-pVTZ//UM06-2X/cc-pVTZ levels of theory, ZPE(UM06-2X/cc-pVTZ), and vibrational frequencies of all C1-C3 species and all reaction steps. Table S2 gives species and standard heats of form
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Journal Article
Global investigation of potential energy surfaces for the pyrolysis of C sub(1)-C sub(3) hydrocarbons: toward the development of detailed kinetic models from first principles
Ryazantsev, Mikhail N, Jamal, Adeel, Maeda, Satoshi, Morokuma, Keiji
Published in Physical chemistry chemical physics : PCCP (01.10.2015)
Published in Physical chemistry chemical physics : PCCP (01.10.2015)
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Journal Article
Theoretical Investigation of the Mechanism and Product Branching Ratios of the Reactions of Cyano Radical with 1- and 2‑Butyne and 1,2-Butadiene
Jamal, Adeel, Mebel, Alexander M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.01.2013)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.01.2013)
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Journal Article
Phenyl radical + propene: a prototypical reaction surface for aromatic-catalyzed 1,2-hydrogen-migration and subsequent resonance-stabilized radical formation
Buras, Zachary J, Chu, Te-Chun, Jamal, Adeel, Yee, Nathan W, Middaugh, Joshua E, Green, William H
Published in Physical chemistry chemical physics : PCCP (16.05.2018)
Published in Physical chemistry chemical physics : PCCP (16.05.2018)
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Journal Article
Phenyl radical + propene: a prototypical reaction surface for aromatic-catalyzed 1,2-hydrogen-migration and subsequent resonance-stabilized radical formationElectronic supplementary information (ESI) available: Details of the model for flash photolysis with MBMS. Experimental procedure and results for measuring p2 PICS. Measured fragmentation patterns of C3H5I and i1-Br. Measured MBMS time profiles of all transient m/z's under all 15 experimental conditions. All measured 408.4 and 447.7 nm absor
Buras, Zachary J, Chu, Te-Chun, Jamal, Adeel, Yee, Nathan W, Middaugh, Joshua E, Green, William H
Year of Publication 16.05.2018
Year of Publication 16.05.2018
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Journal Article
Reactions of C 2 H with 1- and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios
Jamal, Adeel, Mebel, Alexander M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.03.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.03.2011)
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Journal Article
Experimental and ab initio investigation of the products of reaction from Δ9-tetrahydrocannabinol (Δ9-THC) and the fast blue BB spot reagent in presumptive drug tests for cannabinoids
França, Hildegardo S., Acosta, Alexander, Jamal, Adeel, Romao, Wanderson, Mulloor, Jerome, Almirall, Jose R.
Published in Forensic chemistry (01.03.2020)
Published in Forensic chemistry (01.03.2020)
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Journal Article
Reactions of C2H with 1- and 2-Butynes: An Ab Initio/RRKM Study of the Reaction Mechanism and Product Branching Ratios
Jamal, Adeel, Mebel, Alexander M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.03.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24.03.2011)
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Journal Article
A combined crossed molecular beam and theoretical investigation of the reaction of the meta-tolyl radical with vinylacetylene - toward the formation of methylnaphthalenesElectronic supplementary information (ESI) available: Table S1 gives the optimized geometries, and computed vibrational frequencies of the reactants, various intermediates, transition states and products of the reaction of meta-tolyl radical with vinylacetylene calculated at the UM06-2x/cc-pVTZ level of theory, Table S2 gives th
Yang, Tao, Muzangwa, Lloyd, Kaiser, Ralf I, Jamal, Adeel, Morokuma, Keiji
Year of Publication 12.08.2015
Year of Publication 12.08.2015
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Journal Article