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Alexander M. Mebel
Researcher at Florida International University
Publications - 460
Citations - 11526
Alexander M. Mebel is an academic researcher from Florida International University. The author has contributed to research in topics: Ab initio & Reaction rate constant. The author has an hindex of 50, co-authored 408 publications receiving 10095 citations. Previous affiliations of Alexander M. Mebel include Arizona State University & University of Miami.
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Modification of the gaussian-2 theoretical model : the use of coupled-cluster energies, density-functional geometries, and frequencies
TL;DR: A family of modified GAUSSIAN−2 (G2M) calculational schemes have been proposed, based on geometry optimization and vibrational frequency calculations using the hybrid density functional approach, and electron correlation evaluation using the coupled cluster methods as mentioned in this paper.
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Low temperature formation of naphthalene and its role in the synthesis of PAHs (Polycyclic Aromatic Hydrocarbons) in the interstellar medium
Dorian S. N. Parker,Fangtong Zhang,Y. S. Kim,Ralf I. Kaiser,Alexander Landera,Vadim V. Kislov,Alexander M. Mebel,Alexander G. G. M. Tielens +7 more
TL;DR: It is shown that naphthalene can be formed in the gas phase via a barrierless and exoergic reaction between the phenyl radical (C6H5) and vinylacetylene (CH2 = CH-C ≡ CH) involving a van-der-Waals complex and submerged barrier in the entrance channel.
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Untangling the formation of the cyclic carbon trioxide isomer in low temperature carbon dioxide ices
TL;DR: In this article, the formation of the cyclic carbon trioxide isomer, CO3(X 1A1), in carbon-dioxide-rich extraterrestrial ices and in the atmospheres of Earth and Mars were investigated experimentally and theoretically.
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Ab initio and RRKM calculations for multichannel rate constants of the C2H3 + O2 reaction
TL;DR: In this article, a potential energy surface for the reaction of vinyl radical with molecular oxygen has been studied using the ab initio G2M(RCC, MP2) method, and the most favorable reaction pathway leading to the major CHO+CH{sub 2}O products is described.
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Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring.
TL;DR: The formation mechanism of polycyclic aromatic hydrocarbons with three fused aromatic rings starting from naphthalene has been studied using accurate ab initio G3(MP2,CC)//B3LYP/6-311G** calculations followed by the kinetic analysis of various reaction pathways and computations of relative product yields.