| Year |
Citation |
Score |
| 2024 |
Medvedkov IA, Nikolayev AA, Yang Z, Goettl SJ, Mebel AM, Kaiser RI. Elucidating the chemical dynamics of the elementary reactions of the 1-propynyl radical (CHCC; XA) with 2-methylpropene ((CH)CCH; XA). Physical Chemistry Chemical Physics : Pccp. 26: 6448-6457. PMID 38319693 DOI: 10.1039/d3cp05872g |
0.552 |
|
| 2023 |
Zhou J, Guo J, Ghimire G, Mebel AM, Chang S, He J. Plasmon-mediated dehydrogenation of the aromatic methyl group and benzyl radical formation. Chemical Science. 14: 13951-13961. PMID 38075667 DOI: 10.1039/d3sc05847f |
0.335 |
|
| 2023 |
Medvedkov IA, Nikolayev AA, He C, Yang Z, Mebel AM, Kaiser RI. One Collision-Two Substituents: Gas-Phase Preparation of Xylenes under Single-Collision Conditions. Angewandte Chemie (International Ed. in English). e202315147. PMID 38072833 DOI: 10.1002/anie.202315147 |
0.493 |
|
| 2023 |
Reyes Y, Mebel A, Wnuk SF. 6-azido and 6-azidomethyl uracil nucleosides. Nucleosides, Nucleotides & Nucleic Acids. 1-19. PMID 37859415 DOI: 10.1080/15257770.2023.2271023 |
0.318 |
|
| 2023 |
Li W, Yang J, Zhao L, Couch D, Marchi MS, Hansen N, Morozov AN, Mebel AM, Kaiser RI. Gas-phase preparation of azulene (CH) and naphthalene (CH) the reaction of the resonantly stabilized fulvenallenyl and propargyl radicals. Chemical Science. 14: 9795-9805. PMID 37736626 DOI: 10.1039/d3sc03231k |
0.408 |
|
| 2023 |
Yang Z, Galimova GR, He C, Goettl SJ, Paul D, Lu W, Ahmed M, Mebel AM, Li X, Kaiser RI. Gas-phase formation of the resonantly stabilized 1-indenyl (CH) radical in the interstellar medium. Science Advances. 9: eadi5060. PMID 37682989 DOI: 10.1126/sciadv.adi5060 |
0.469 |
|
| 2023 |
Goettl SJ, Tuli LB, Turner AM, Reyes Y, Howlader AH, Wnuk SF, Hemberger P, Mebel AM, Kaiser RI. Gas-Phase Synthesis of Coronene through Stepwise Directed Ring Annulation. Journal of the American Chemical Society. PMID 37405391 DOI: 10.1021/jacs.3c03816 |
0.364 |
|
| 2023 |
Goettl SJ, Yang Z, Kollotzek S, Paul D, Kaiser RI, Somani A, Portela-Gonzalez A, Sander W, Nikolayev AA, Azyazov VN, Mebel AM. Exploring the Chemical Dynamics of Phenylethynyl Radical (CHCC; XA) Reactions with Allene (HCCCH; XA) and Methylacetylene (CHCCH; XA). The Journal of Physical Chemistry. A. PMID 37401904 DOI: 10.1021/acs.jpca.3c03077 |
0.531 |
|
| 2023 |
Wang J, Nikolayev AA, Zhang C, Marks JH, Azyazov VN, Eckhardt AK, Mebel AM, Kaiser RI. Synthesis of interstellar propen-2-ol (CHC(OH)CH) - the simplest enol tautomer of a ketone. Physical Chemistry Chemical Physics : Pccp. PMID 37357555 DOI: 10.1039/d3cp02307a |
0.342 |
|
| 2023 |
He C, Kaiser RI, Lu W, Ahmed M, Krasnoukhov VS, Pivovarov PS, Zagidullin MV, Azyazov VN, Morozov AN, Mebel AM. Unconventional gas-phase preparation of the prototype polycyclic aromatic hydrocarbon naphthalene (CH) the reaction of benzyl (CH) and propargyl (CH) radicals coupled with hydrogen-atom assisted isomerization. Chemical Science. 14: 5369-5378. PMID 37234886 DOI: 10.1039/d3sc00911d |
0.461 |
|
| 2023 |
Tuli LB, Goettl SJ, Turner AM, Howlader AH, Hemberger P, Wnuk SF, Guo T, Mebel AM, Kaiser RI. Gas phase synthesis of the C40 nano bowl CH. Nature Communications. 14: 1527. PMID 36934084 DOI: 10.1038/s41467-023-37058-y |
0.423 |
|
| 2023 |
Selby TM, Goulay F, Soorkia S, Ray A, Jasper AW, Klippenstein SJ, Morozov AN, Mebel AM, Savee JD, Taatjes CA, Osborn DL. Radical-Radical Reactions in Molecular Weight Growth: The Phenyl + Propargyl Reaction. The Journal of Physical Chemistry. A. PMID 36905386 DOI: 10.1021/acs.jpca.2c08121 |
0.533 |
|
| 2023 |
He C, Kaiser RI, Lu W, Ahmed M, Reyes Y, Wnuk SF, Mebel AM. Exotic Reaction Dynamics in the Gas-Phase Preparation of Anthracene (CH) via Spiroaromatic Radical Transients in the Indenyl-Cyclopentadienyl Radical-Radical Reaction. Journal of the American Chemical Society. 145: 3084-3091. PMID 36701838 DOI: 10.1021/jacs.2c12045 |
0.462 |
|
| 2022 |
He C, Kaiser RI, Lu W, Ahmed M, Pivovarov PS, Kuznetsov OV, Zagidullin MV, Mebel AM. Unconventional Pathway in the Gas-Phase Synthesis of 9H-Fluorene (C H ) via the Radical-Radical Reaction of Benzyl (C H ) with Phenyl (C H ). Angewandte Chemie (International Ed. in English). e202216972. PMID 36524679 DOI: 10.1002/anie.202216972 |
0.527 |
|
| 2022 |
Morozov AN, Mebel AM, Frenklach M. Acceleration of a Chemical Reaction due to Nonequilibrium Collisional Dynamics: Dimerization of Polyaromatics. The Journal of Physical Chemistry Letters. 13: 11528-11535. PMID 36473115 DOI: 10.1021/acs.jpclett.2c03066 |
0.324 |
|
| 2022 |
Yang Z, Galimova GR, He C, Doddipatla S, Mebel AM, Kaiser RI. Gas-Phase Formation of 1,3,5,7-Cyclooctatetraene (CH) through Ring Expansion via the Aromatic 1,3,5-Cyclooctatrien-7-yl Radical (CH) Transient. Journal of the American Chemical Society. PMID 36454210 DOI: 10.1021/jacs.2c06448 |
0.422 |
|
| 2022 |
Paultre CB, Mebel AM, O'Shea KE. Computational Study of the Gas-Phase Thermal Degradation of Perfluoroalkyl Carboxylic Acids. The Journal of Physical Chemistry. A. 126: 8753-8760. PMID 36374611 DOI: 10.1021/acs.jpca.2c06437 |
0.422 |
|
| 2022 |
He C, Yang Z, Doddipatla S, Thomas AM, Kaiser RI, Galimova GR, Mebel AM, Fujioka K, Sun R. Directed gas phase preparation of ethynylallene (HCCCHCCH; XA') the crossed molecular beam reaction of the methylidyne radical (CH; XΠ) with vinylacetylene (HCCHCCH; XA'). Physical Chemistry Chemical Physics : Pccp. PMID 36305719 DOI: 10.1039/d2cp04081f |
0.491 |
|
| 2022 |
Wang J, Marks JH, Turner AM, Nikolayev AA, Azyazov V, Mebel AM, Kaiser RI. Mechanistical study on the formation of hydroxyacetone (CHCOCHOH), methyl acetate (CHCOOCH), and 3-hydroxypropanal (HCOCHCHOH) along with their enol tautomers (prop-1-ene-1,2-diol (CHC(OH)CHOH), prop-2-ene-1,2-diol (CHC(OH)CHOH), 1-methoxyethen-1-ol (CHOC(OH)CH) and prop-1-ene-1,3-diol (HOCHCHCHOH)) in interstellar ice analogs. Physical Chemistry Chemical Physics : Pccp. PMID 36285574 DOI: 10.1039/d2cp03543j |
0.375 |
|
| 2022 |
Galimova GR, Mebel AM, Goettl SJ, Yang Z, Kaiser RI. A crossed molecular beams and computational study on the unusual reactivity of banana bonds of cyclopropane (c-CH; ) through insertion by ground state carbon atoms (C(P)). Physical Chemistry Chemical Physics : Pccp. 24: 22453-22463. PMID 36102937 DOI: 10.1039/d2cp03293g |
0.529 |
|
| 2022 |
He C, Goettl SJ, Yang Z, Kaiser RI, Nikolayev AA, Azyazov VN, Mebel AM. Gas-Phase Preparation of Subvalent Germanium Monoxide (GeO, X) via Non-Adiabatic Reaction Dynamics in the Exit Channel. The Journal of Physical Chemistry Letters. 13: 4589-4597. PMID 35584300 DOI: 10.1021/acs.jpclett.2c00706 |
0.326 |
|
| 2022 |
Goettl SJ, He C, Paul D, Nikolayev AA, Azyazov VN, Mebel AM, Kaiser RI. Gas-Phase Study of the Elementary Reaction of the D1-Ethynyl Radical (CD; XΣ) with Propylene (CH; XA') under Single-Collision Conditions. The Journal of Physical Chemistry. A. 126: 1889-1898. PMID 35289624 DOI: 10.1021/acs.jpca.2c00297 |
0.516 |
|
| 2022 |
Kaiser RI, Zhao L, Lu W, Ahmed M, Krasnoukhov VS, Azyazov VN, Mebel AM. Unconventional excited-state dynamics in the concerted benzyl (CH) radical self-reaction to anthracene (CH). Nature Communications. 13: 786. PMID 35145103 DOI: 10.1038/s41467-022-28466-7 |
0.442 |
|
| 2022 |
Galimova GR, Medvedkov IA, Mebel AM. The Role of Methylaryl Radicals in the Growth of Polycyclic Aromatic Hydrocarbons: The Formation of Five-Membered Rings. The Journal of Physical Chemistry. A. 126: 1233-1244. PMID 35138856 DOI: 10.1021/acs.jpca.2c00060 |
0.485 |
|
| 2022 |
Gurusinghe RM, Dias N, Mebel AM, Suits AG. Radical-Radical Reaction Dynamics Probed Using Millimeterwave Spectroscopy: Propargyl + NH/ND. The Journal of Physical Chemistry Letters. 13: 91-97. PMID 34958581 DOI: 10.1021/acs.jpclett.1c03813 |
0.454 |
|
| 2021 |
Kaiser RI, Zhao L, Lu W, Ahmed M, Zagidullin MV, Azyazov VN, Mebel AM. Formation of Benzene and Naphthalene through Cyclopentadienyl-Mediated Radical-Radical Reactions. The Journal of Physical Chemistry Letters. 208-213. PMID 34967648 DOI: 10.1021/acs.jpclett.1c03733 |
0.362 |
|
| 2021 |
He C, Fujioka K, Nikolayev AA, Zhao L, Doddipatla S, Azyazov VN, Mebel AM, Sun R, Kaiser RI. A chemical dynamics study of the reaction of the methylidyne radical (CH, XΠ) with dimethylacetylene (CHCCCH, XA). Physical Chemistry Chemical Physics : Pccp. PMID 34908056 DOI: 10.1039/d1cp04443e |
0.432 |
|
| 2021 |
Monluc L, Nikolayev AA, Medvedkov IA, Azyazov VN, Morozov AN, Mebel AM. The Reaction of o-Benzyne with Vinylacetylene: An Unexplored Way to Produce Naphthalene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34767677 DOI: 10.1002/cphc.202100758 |
0.542 |
|
| 2021 |
Nikolayev AA, Azyazov VN, Kaiser RI, Mebel AM. Theoretical Study of the Reaction of the Methylidyne Radical (CH; XΠ) with 1-Butyne (CHCHCCH; XA'). The Journal of Physical Chemistry. A. PMID 34672597 DOI: 10.1021/acs.jpca.1c07519 |
0.493 |
|
| 2021 |
Zhao L, Prendergast M, Kaiser RI, Xu B, Lu W, Ahmed M, Hasan Howlader A, Wnuk SF, Korotchenko AS, Evseev MM, Bashkirov EK, Azyazov VN, Mebel AM. A molecular beam and computational study on the barrierless gas phase formation of (iso)quinoline in low temperature extraterrestrial environments. Physical Chemistry Chemical Physics : Pccp. 23: 18495-18505. PMID 34612388 DOI: 10.1039/d1cp02169a |
0.361 |
|
| 2021 |
Yang Z, He C, Goettl S, Kaiser RI, Azyazov VN, Mebel AM. Directed Gas-Phase Formation of Aminosilylene (HSiNH; A'): The Simplest Silicon Analogue of an Aminocarbene, under Single-Collision Conditions. Journal of the American Chemical Society. PMID 34431671 DOI: 10.1021/jacs.1c05510 |
0.343 |
|
| 2021 |
Zhao L, Lu W, Ahmed M, Zagidullin MV, Azyazov VN, Morozov AN, Mebel AM, Kaiser RI. Gas-phase synthesis of benzene via the propargyl radical self-reaction. Science Advances. 7. PMID 34020951 DOI: 10.1126/sciadv.abf0360 |
0.326 |
|
| 2021 |
Mebel A, Krasnoukhov VS, Azyazov VN, Doddipatla S, Yang Z, Goettl S, Kaiser RI. Combined Crossed Molecular Beams and Ab Initio Study of the Bimolecular Reaction of Ground State Atomic Silicon (Si; 3P) with Germane (GeH4; X1A1). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 34004053 DOI: 10.1002/cphc.202100235 |
0.373 |
|
| 2021 |
Porfiriev DP, Azyazov VN, Mebel AM. Mechanism and kinetics of the oxidation of 1,3-butadien-1-yl (-CH): a theoretical study. Physical Chemistry Chemical Physics : Pccp. 23: 9198-9210. PMID 33885117 DOI: 10.1039/d1cp00567g |
0.406 |
|
| 2021 |
Semenikhin AS, Savchenkova AS, Chechet IV, Matveev SG, Frenklach M, Mebel AM. Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction-Acetylene-Addition Mechanism: A Theoretical Study. The Journal of Physical Chemistry. A. 125: 3341-3354. PMID 33876944 DOI: 10.1021/acs.jpca.1c00900 |
0.484 |
|
| 2021 |
Mishra P, Fritz SM, Herbers S, Mebel AM, Zwier TS. Gas-phase pyrolysis of 3-pentenenitrile: competition between direct and isomerization-mediated dissociation. Physical Chemistry Chemical Physics : Pccp. PMID 33729262 DOI: 10.1039/d1cp00104c |
0.485 |
|
| 2021 |
Zhao L, Doddipatla S, Kaiser RI, Lu W, Kostko O, Ahmed M, Tuli LB, Morozov AN, Howlader AH, Wnuk SF, Mebel AM, Azyazov VN, Mohamed RK, Fischer FR. Gas-phase synthesis of corannulene - a molecular building block of fullerenes. Physical Chemistry Chemical Physics : Pccp. PMID 33595573 DOI: 10.1039/d0cp06537d |
0.452 |
|
| 2021 |
Doddipatla S, Galimova GR, Wei H, Thomas AM, He C, Yang Z, Morozov AN, Shingledecker CN, Mebel AM, Kaiser RI. Low-temperature gas-phase formation of indene in the interstellar medium. Science Advances. 7. PMID 33523847 DOI: 10.1126/sciadv.abd4044 |
0.422 |
|
| 2021 |
He C, Nikolayev AA, Zhao L, Thomas AM, Doddipatla S, Galimova GR, Azyazov VN, Mebel AM, Kaiser RI. Gas-Phase Formation of CH Isomers via the Crossed Molecular Beam Reaction of the Methylidyne Radical (CH; XΠ) with 1,2-Butadiene (CHCHCCH; XA'). The Journal of Physical Chemistry. A. PMID 33397109 DOI: 10.1021/acs.jpca.0c08731 |
0.485 |
|
| 2020 |
Yang Z, Doddipatla S, Kaiser RI, Krasnoukhov VS, Azyazov VN, Mebel AM. Directed Gas Phase Formation of the Elusive Silylgermylidyne Radical (H3SiGe, X2A''). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 33245830 DOI: 10.1002/cphc.202000913 |
0.461 |
|
| 2020 |
Krasnoukhov VS, Zagidullin MV, Zavershinskiy IP, Mebel AM. Formation of Phenanthrene via Recombination of Indenyl and Cyclopentadienyl Radicals: A Theoretical Study. The Journal of Physical Chemistry. A. 124: 9933-9941. PMID 33205982 DOI: 10.1021/acs.jpca.0c09091 |
0.555 |
|
| 2020 |
He C, Galimova GR, Luo Y, Zhao L, Eckhardt AK, Sun R, Mebel AM, Kaiser RI. A chemical dynamics study on the gas-phase formation of triplet and singlet CH carbenes. Proceedings of the National Academy of Sciences of the United States of America. PMID 33199606 DOI: 10.1073/pnas.2019257117 |
0.427 |
|
| 2020 |
Zhao L, Kaiser RI, Lu W, Kostko O, Ahmed M, Evseev MM, Bashkirov EK, Oleinikov AD, Azyazov VN, Mebel AM, Howlader AH, Wnuk SF. Gas phase formation of cyclopentanaphthalene (benzindene) isomers reactions of 5- and 6-indenyl radicals with vinylacetylene. Physical Chemistry Chemical Physics : Pccp. PMID 32996974 DOI: 10.1039/d0cp03846f |
0.52 |
|
| 2020 |
Doddipatla S, He C, Kaiser RI, Luo Y, Sun R, Galimova GR, Mebel AM, Millar TJ. A chemical dynamics study on the gas phase formation of thioformaldehyde (HCS) and its thiohydroxycarbene isomer (HCSH). Proceedings of the National Academy of Sciences of the United States of America. PMID 32859759 DOI: 10.1073/Pnas.2004881117 |
0.306 |
|
| 2020 |
Doddipatla S, Yang Z, Thomas AM, Chen YL, Sun BJ, Chang AHH, Mebel AM, Kaiser RI. Gas Phase Synthesis of the Elusive Trisilacyclopropyl Radical (SiH) via Unimolecular Decomposition of Chemically Activated Doublet Trisilapropyl Radicals (SiH). The Journal of Physical Chemistry Letters. PMID 32814428 DOI: 10.1021/Acs.Jpclett.0C02281 |
0.438 |
|
| 2020 |
Semenikhin AS, Savchenkova AS, Chechet IV, Matveev SG, Frenklach M, Mebel AM. On the mechanism of soot nucleation. II. E-bridge formation at the PAH bay. Physical Chemistry Chemical Physics : Pccp. PMID 32706010 DOI: 10.1039/D0Cp02554B |
0.342 |
|
| 2020 |
Zhao L, Kaiser RI, Lu W, Ahmed M, Oleinikov AD, Azyazov VN, Mebel AM, Howlader AH, Wnuk SF. Gas phase formation of phenalene via 10π-aromatic, resonantly stabilized free radical intermediates. Physical Chemistry Chemical Physics : Pccp. PMID 32598423 DOI: 10.1039/D0Cp02216K |
0.387 |
|
| 2020 |
Yang Z, He C, Doddipatla S, Krasnoukhov VS, Azyazov VN, Mebel AM, Kaiser RI. Gas Phase Formation of Methylgermylene (HGeCH3). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32596990 DOI: 10.1002/Cphc.202000392 |
0.427 |
|
| 2020 |
Singh SK, Tsai TY, Sun BJ, Chang AHH, Mebel AM, Kaiser RI. Gas Phase Identification of the Elusive N-Hydroxyoxaziridine (c-HCON(OH)) - A Chiral Molecule. The Journal of Physical Chemistry Letters. PMID 32527090 DOI: 10.1021/Acs.Jpclett.0C01277 |
0.386 |
|
| 2020 |
Yang Z, Doddipatla S, He C, Krasnoukhov VS, Azyazov VN, Mebel AM, Kaiser RI. Directed Gas Phase Formation of S ilene (H2SiCH2). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32500564 DOI: 10.1002/Chem.202002359 |
0.453 |
|
| 2020 |
He C, Zhao L, Doddipatla S, Thomas AM, Nikolayev AA, Galimova GR, Azyazov VN, Mebel AM, Kaiser RI. Gas-Phase Synthesis of 3-Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X2Π) with 1,3-Butadiene (CH2CHCHCH2; X1Ag). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32291897 DOI: 10.1002/Cphc.202000183 |
0.56 |
|
| 2020 |
Mebel A, Zhao L, Kaiser RI, Lu W, Ahmed M, Evseev MM, Bashkirov EK, Azyazov VN, Tönshoff C, Reicherter F, Bettinger HF. A Free Radical Prompted Barrierless Gas Phase Synthesis of Pentacene. Angewandte Chemie (International Ed. in English). PMID 32266773 DOI: 10.1002/Anie.202003402 |
0.465 |
|
| 2020 |
Morozov AN, Mebel AM. Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association. Physical Chemistry Chemical Physics : Pccp. PMID 32179880 DOI: 10.1039/d0cp00306a |
0.313 |
|
| 2020 |
Frenklach M, Mebel AM. On the mechanism of soot nucleation. Physical Chemistry Chemical Physics : Pccp. 22: 5314-5331. PMID 32096528 DOI: 10.1039/D0Cp00116C |
0.341 |
|
| 2020 |
He C, Thomas AM, Galimova GR, Morozov AN, Mebel AM, Kaiser RI. Gas-Phase Formation of Fulvenallene (CH) via the Jahn-Teller Distorted Tropyl (CH) Radical Intermediate under Single-Collision Conditions. Journal of the American Chemical Society. PMID 31961149 DOI: 10.1021/Jacs.9B13269 |
0.462 |
|
| 2020 |
Mikheyev PA, Demyanov AV, Kochetov IV, Sludnova A, Torbin A, Mebel A, Azyazov V. Ozone and oxygen atoms production in a dielectric barrier discharge in pure oxygen and O2/CH4 mixtures. Modeling and experiment Plasma Sources Science and Technology. 29: 15012. DOI: 10.1088/1361-6595/Ab5Da3 |
0.302 |
|
| 2020 |
Tuli LB, Mebel AM. Formation of phenanthrene via H‐assisted isomerization of 2‐ethynylbiphenyl produced in the reaction of phenyl with phenylacetylene International Journal of Chemical Kinetics. 52: 875-883. DOI: 10.1002/kin.21406 |
0.363 |
|
| 2019 |
Zhao L, Kaiser RI, Xu B, Ablikim U, Ahmed M, Evseev MM, Bashkirov EK, Azyazov VN, Mebel AM. A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase. Angewandte Chemie (International Ed. in English). PMID 31872513 DOI: 10.1002/Anie.201913037 |
0.315 |
|
| 2019 |
Thomas AM, Doddipatla S, Kaiser RI, Galimova GR, Mebel AM. A Barrierless Pathway Accessing the CH and CH Potential Energy Surfaces via the Elementary Reaction of Benzene with 1-Propynyl. Scientific Reports. 9: 17595. PMID 31772216 DOI: 10.1038/S41598-019-53987-5 |
0.508 |
|
| 2019 |
He C, Thomas AM, Galimova GR, Mebel AM, Kaiser RI. Gas-Phase Formation of 1-Methylcyclopropene and 3-Methylcyclopropene via the Reaction of the Methylidyne Radical (CH; XΠ) with Propylene (CHCHCH; XA'). The Journal of Physical Chemistry. A. PMID 31718184 DOI: 10.1021/Acs.Jpca.9B09815 |
0.5 |
|
| 2019 |
He C, Zhao L, Thomas AM, Galimova GR, Mebel AM, Kaiser RI. A combined experimental and computational study on the reaction dynamics of the 1-propynyl radical (CHCC; XA) with ethylene (HCCH; XA) and the formation of 1-penten-3-yne (CHCHCCCH; XA'). Physical Chemistry Chemical Physics : Pccp. PMID 31576858 DOI: 10.1039/C9Cp04073K |
0.518 |
|
| 2019 |
Zhao L, Kaiser RI, Lu W, Xu B, Ahmed M, Morozov AN, Mebel AM, Howlader AH, Wnuk SF. Molecular mass growth through ring expansion in polycyclic aromatic hydrocarbons via radical-radical reactions. Nature Communications. 10: 3689. PMID 31417088 DOI: 10.1038/S41467-019-11652-5 |
0.318 |
|
| 2019 |
Thomas AM, Zhao L, He C, Galimova GR, Mebel AM, Kaiser RI. Directed Gas Phase Synthesis of Triafulvene under Single Collision Conditions. Angewandte Chemie (International Ed. in English). PMID 31368202 DOI: 10.1002/Anie.201908039 |
0.425 |
|
| 2019 |
Zhao L, Prendergast M, Kaiser RI, Xu B, Ablikim U, Lu W, Ahmed M, Oleinikov AD, Azyazov VN, Howlader AH, Wnuk SF, Mebel AM. How to add a five-membered ring to polycyclic aromatic hydrocarbons (PAHs) - molecular mass growth of the 2-naphthyl radical (CH) to benzindenes (CH) as a case study. Physical Chemistry Chemical Physics : Pccp. PMID 31322639 DOI: 10.1039/C9Cp02930C |
0.472 |
|
| 2019 |
Ghildina AR, Porfiriev DP, Azyazov VN, Mebel AM. Scission of the Five-Member Ring in 1-H-Inden-1-One CHO and Indenyl CH in the Reactions with H and O Atoms. The Journal of Physical Chemistry. A. PMID 31192595 DOI: 10.1021/acs.jpca.9b04578 |
0.522 |
|
| 2019 |
He C, Zhao L, Thomas AM, Morozov AN, Mebel AM, Kaiser RI. Elucidating the Chemical Dynamics of the Elementary Reactions of the 1-Propynyl Radical (CHCC; XA) with Methylacetylene (HCCCH; XA) and Allene (HCCCH; XA). The Journal of Physical Chemistry. A. PMID 31179701 DOI: 10.1021/Acs.Jpca.9B03746 |
0.554 |
|
| 2019 |
He C, Thomas AM, Galimova GR, Mebel A, Kaiser RI. Gas Phase Formation of Methyltriacetylene (CH3(C≡C)3H) - An Interstellar Molecule. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31162781 DOI: 10.1002/Cphc.201900305 |
0.338 |
|
| 2019 |
Thomas AM, He C, Zhao L, Galimova GR, Mebel AM, Kaiser RI. A Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CHCC) - 1,3-Butadiene (CHCHCHCH) System and the Formation of Toluene Under Single Collision Conditions. The Journal of Physical Chemistry. A. PMID 31017790 DOI: 10.1021/Acs.Jpca.9B00092 |
0.47 |
|
| 2019 |
Ghildina AR, Porfiriev DP, Azyazov VN, Mebel AM. The mechanism and rate constants for oxidation of indenyl radical CH with molecular oxygen O: a theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 30984935 DOI: 10.1039/c9cp01122f |
0.477 |
|
| 2019 |
Zhao L, Kaiser RI, Xu B, Ablikim U, Lu W, Ahmed M, Evseev MM, Bashkirov EK, Azyazov VN, Zagidullin MV, Morozov AN, Howlader AH, Wnuk SF, Mebel AM, Joshi D, et al. Gas phase synthesis of [4]-helicene. Nature Communications. 10: 1510. PMID 30944302 DOI: 10.1038/S41467-019-09224-8 |
0.425 |
|
| 2019 |
Zhao L, Prendergast MB, Kaiser RI, Xu B, Lu W, Ablikim U, Ahmed M, Oleinikov AD, Azyazov VN, Mebel AM, Howlader AH, Wnuk SF. Reactivity of the Indenyl Radical (C₉H₇) with Acetylene (C₂H₂) and Vinylacetylene (C₄H₄). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30938059 DOI: 10.1002/Cphc.201900052 |
0.435 |
|
| 2019 |
Thomas AM, Dangi BB, Yang T, Tarczay G, Kaiser RI, Sun BJ, Chen SY, Chang AHH, Nguyen TL, Stanton JF, Mebel AM. Directed Gas Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H)Si). The Journal of Physical Chemistry Letters. PMID 30817157 DOI: 10.1021/Acs.Jpclett.9B00284 |
0.341 |
|
| 2019 |
Morozov AN, Mebel AM. Theoretical Study of the Reaction Mechanism and Kinetics of the Phenyl + Allyl and Related Benzyl + Vinyl Associations. The Journal of Physical Chemistry. A. PMID 30758204 DOI: 10.1021/acs.jpca.9b00345 |
0.433 |
|
| 2019 |
Zhao L, Xu B, Ablikim U, Lu W, Ahmed M, Evseev MM, Bashkirov EK, Azyazov VN, Howlader AH, Wnuk SF, Mebel AM, Kaiser RI. Gas Phase Synthesis of Triphenylene (C₁₈H₁₂). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30710434 DOI: 10.1002/Cphc.201801154 |
0.322 |
|
| 2019 |
Zhao L, Prendergast MB, Kaiser RI, Xu B, Lu W, Ablikim U, Ahmed M, Oleinikov AD, Azyazov VN, Mebel AM, Howlader AH, Wnuk SF. Cover Feature: Reactivity of the Indenyl Radical (C9
H7
) with Acetylene (C2
H2
) and Vinylacetylene (C4
H4
) (ChemPhysChem 11/2019) Chemphyschem. 20: 1413-1413. DOI: 10.1002/Cphc.201900486 |
0.413 |
|
| 2018 |
Savchenkova AS, Semenikhin AS, Chechet IV, Matveev SG, Konnov AA, Mebel AM. Mechanism and rate constants of the CH + CH CO reactions in triplet and singlet states: A theoretical study. Journal of Computational Chemistry. PMID 30299558 DOI: 10.1002/jcc.25613 |
0.498 |
|
| 2018 |
Lucas M, Thomas AM, Yang T, Kaiser RI, Mebel AM, Hait D, Head-Gordon M. Bimolecular Reaction Dynamics in the Phenyl - Silane System: Exploring the Prototype of a Radical Substitution Mechanism. The Journal of Physical Chemistry Letters. PMID 30133285 DOI: 10.1021/Acs.Jpclett.8B02303 |
0.419 |
|
| 2018 |
Thomas AM, Zhao L, He C, Mebel AM, Kaiser RI. A Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CHCC) - Acetylene (HCCH) System and the Formation of Methyldiacetylene (CHCCCCH). The Journal of Physical Chemistry. A. PMID 30032608 DOI: 10.1021/Acs.Jpca.8B05530 |
0.48 |
|
| 2018 |
Morozov AN, Mebel AM, Kaiser RI. A Theoretical Study of Pyrolysis of JP-10 ( exo-Tetrahydrodicyclopentadiene) and Its Primary and Secondary Unimolecular Decomposition Products. The Journal of Physical Chemistry. A. PMID 29771518 DOI: 10.1021/Acs.Jpca.8B02934 |
0.442 |
|
| 2018 |
Zhao L, Kaiser RI, Xu B, Ablikim U, Ahmed M, Zagidullin MV, Azyazov VN, Howlader AH, Wnuk SF, Mebel AM. A VUV Photoionization Study on the Formation of the Simplest Polycyclic Aromatic Hydrocarbon: Naphthalene (C10H8). The Journal of Physical Chemistry Letters. PMID 29717871 DOI: 10.1021/Acs.Jpclett.8B01020 |
0.367 |
|
| 2018 |
Belisario-Lara D, Mebel AM, Kaiser RI. A Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates III: Butylbenzene Isomers ( n-, s-, and t-CH). The Journal of Physical Chemistry. A. PMID 29608299 DOI: 10.1021/Acs.Jpca.8B01836 |
0.365 |
|
| 2018 |
Thomas AM, Lucas M, Zhao L, Liddiard J, Kaiser RI, Mebel AM. A combined crossed molecular beams and computational study on the formation of distinct resonantly stabilized CHradicals via chemically activated CHand CHintermediates. Physical Chemistry Chemical Physics : Pccp. PMID 29537029 DOI: 10.1039/C8Cp00357B |
0.517 |
|
| 2018 |
Lucas M, Thomas AM, Kaiser RI, Bashkirov EK, Azyazov VN, Mebel AM. A Combined Experimental and Computational Investigation of the Elementary Reaction of Ground State Atomic Carbon (C;P) with Pyridine (CHN; XA) via Ring Expansion and Ring Degradation Pathways. The Journal of Physical Chemistry. A. PMID 29529361 DOI: 10.1021/Acs.Jpca.8B00756 |
0.411 |
|
| 2018 |
Semenikhin AS, Savchenkova AS, Chechet IV, Matveev SG, Liu Z, Frenklach M, Mebel AM. Rate constants for H abstraction from benzo(a)pyrene and chrysene: a theoretical study. Physical Chemistry Chemical Physics : Pccp. 19: 25401-25413. PMID 28894870 DOI: 10.1039/C7Cp05560A |
0.496 |
|
| 2018 |
Galimova G, Azyazov V, Mebel A. Quantum chemical study of the mechanism of oxidation of C15H9 by atomic oxygen Matec Web of Conferences. 209: 00008. DOI: 10.1051/MATECCONF/201820900008 |
0.479 |
|
| 2018 |
Zhao L, Kaiser RI, Xu B, Ablikim U, Ahmed M, Evseev MM, Bashkirov EK, Azyazov VN, Mebel AM. Low-temperature formation of polycyclic aromatic hydrocarbons in Titan’s atmosphere Nature Astronomy. 2: 973-979. DOI: 10.1038/S41550-018-0585-Y |
0.353 |
|
| 2018 |
Zhao L, Kaiser RI, Xu B, Ablikim U, Ahmed M, Joshi D, Veber G, Fischer FR, Mebel AM. Pyrene synthesis in circumstellar envelopes and its role in the formation of 2D nanostructures Nature Astronomy. 2: 413-419. DOI: 10.1038/S41550-018-0399-Y |
0.417 |
|
| 2018 |
Galimova G, Azyazov V, Mebel A. Reaction mechanism, rate constants, and product yields for the oxidation of Cyclopentadienyl and embedded five-member ring radicals with hydroxyl Combustion and Flame. 187: 147-164. DOI: 10.1016/J.COMBUSTFLAME.2017.09.005 |
0.306 |
|
| 2018 |
Semenikhin AS, Shubina EG, Savchenkova AS, Chechet IV, Matveev SG, Konnov AA, Mebel AM. Mechanism and Rate Constants of the CH3
+ CH2
CO Reaction: A Theoretical Study International Journal of Chemical Kinetics. 50: 273-284. DOI: 10.1002/KIN.21156 |
0.35 |
|
| 2017 |
Krasnoukhov VS, Porfiriev D, Zavershinskiy IP, Azyazov VN, Mebel AM. Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study. The Journal of Physical Chemistry. A. PMID 29117681 DOI: 10.1021/acs.jpca.7b09873 |
0.445 |
|
| 2017 |
Lucas M, Thomas AM, Zhao L, Kaiser RI, Kim GS, Mebel AM. Gas Phase Synthesis of the Elusive Cyclooctatetraenyl Radical (C8H7) via Triplet Aromatic Cyclooctatetraene (C8H8) and Non-Aromatic Cyclooctatriene (C8H8) Intermediates. Angewandte Chemie (International Ed. in English). PMID 28887833 DOI: 10.1002/anie.201706861 |
0.427 |
|
| 2017 |
Thomas AM, Lucas M, Yang T, Kaiser RI, Fuentes L, Belisario-Lara D, Mebel AM. A Free Radical Pathway to Hydrogenated Phenanthrene in Molecular Clouds - Low Temperature Growth of Polycyclic Aromatic Hydrocarbons. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28556602 DOI: 10.1002/Cphc.201700515 |
0.34 |
|
| 2017 |
Ribeiro JM, Mebel AM. Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 28537287 DOI: 10.1039/c7cp01873h |
0.422 |
|
| 2017 |
Zhao L, Yang T, Kaiser RI, Troy TP, Xu B, Ahmed M, Alarcon J, Belisario-Lara D, Mebel AM, Zhang Y, Cao C, Zou J. A vacuum ultraviolet photoionization study on high-temperature decomposition of JP-10 (exo-tetrahydrodicyclopentadiene). Physical Chemistry Chemical Physics : Pccp. PMID 28504798 DOI: 10.1039/C7Cp01571B |
0.489 |
|
| 2017 |
Yang T, Kaiser RI, Troy TP, Xu B, Kostko O, Ahmed M, Mebel AM, Zagidullin MV, Azyazov VN. HACA's Heritage: A Free-Radical Pathway to Phenanthrene in Circumstellar Envelopes of Asymptotic Giant Branch Stars. Angewandte Chemie (International Ed. in English). PMID 28328095 DOI: 10.1002/Anie.201701259 |
0.32 |
|
| 2017 |
Zhao L, Yang T, Kaiser RI, Troy TP, Ahmed M, Ribeiro JM, Belisario-Lara D, Mebel AM. A Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates II: n-Dodecane (n-C12H26). The Journal of Physical Chemistry. A. PMID 28088866 DOI: 10.1021/acs.jpca.6b11817 |
0.488 |
|
| 2017 |
Zhao L, Yang T, Kaiser RI, Troy TP, Ahmed M, Belisario-Lara D, Ribeiro JM, Mebel AM. A Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates I: n-Decane (n-C10H22). The Journal of Physical Chemistry. A. PMID 28088860 DOI: 10.1021/Acs.Jpca.6B11472 |
0.466 |
|
| 2017 |
Mebel AM, Landera A, Kaiser RI. Formation Mechanisms of Naphthalene and Indene: From the Interstellar Medium to Combustion Flames. The Journal of Physical Chemistry. A. PMID 28072538 DOI: 10.1021/Acs.Jpca.6B09735 |
0.805 |
|
| 2017 |
Azyazov VN, Torbin AP, Mebel AM, Bresler SM, Heaven MC. Product channels of the reactions of Rb(62P) with H2, CH4 and C2H6 Journal of Quantitative Spectroscopy and Radiative Transfer. 196: 46-52. DOI: 10.1016/J.JQSRT.2017.03.032 |
0.389 |
|
| 2017 |
Ghildina A, Oleinikov A, Azyazov V, Mebel A. Reaction mechanism, rate constants, and product yields for unimolecular and H-assisted decomposition of 2,4-cyclopentadienone and oxidation of cyclopentadienyl with atomic oxygen Combustion and Flame. 183: 181-193. DOI: 10.1016/J.COMBUSTFLAME.2017.05.015 |
0.337 |
|
| 2016 |
Thomas AM, Yang T, Dangi BB, Kaiser RI, Kim GS, Mebel AM. Oxidation of the para-Tolyl Radical by Molecular Oxygen under Single-Collison Conditions: Formation of the para-Toloxy Radical. The Journal of Physical Chemistry Letters. 7: 5121-5127. PMID 27973866 DOI: 10.1021/Acs.Jpclett.6B02357 |
0.364 |
|
| 2016 |
Yang T, Troy TP, Xu B, Kostko O, Ahmed M, Mebel AM, Kaiser RI. Hydrogen-Abstraction/Acetylene-Addition Exposed. Angewandte Chemie (International Ed. in English). PMID 27781351 DOI: 10.1002/Anie.201607509 |
0.495 |
|
| 2016 |
Mebel AM, Georgievskii Y, Jasper AW, Klippenstein SJ. Pressure-dependent rate constants for PAH growth: formation of indene and its conversion to naphthalene. Faraday Discussions. PMID 27711836 DOI: 10.1039/C6Fd00111D |
0.442 |
|
| 2016 |
Förstel M, Tsegaw YA, Maksyutenko P, Mebel AM, Sander W, Kaiser RI. On the Formation of N3 H3 Isomers in Irradiated Ammonia Bearing Ices: Triazene (H2 NNNH) or Triimide (HNHNNH). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27344990 DOI: 10.1002/Cphc.201600414 |
0.309 |
|
| 2016 |
Azyazov VN, Bresler SM, Torbin AP, Mebel AM, Heaven MC. Removal of Rb(6(2)P) by H(2), CH(4), and C(2)H(6). Optics Letters. 41: 669-72. PMID 26872159 DOI: 10.1364/OL.41.000669 |
0.378 |
|
| 2016 |
Ribeiro JM, Mebel AM. Reaction Mechanism and Product Branching Ratios of the CH + C3H6 Reaction: A Theoretical Study. The Journal of Physical Chemistry. A. 120: 1800-12. PMID 26866464 DOI: 10.1021/acs.jpca.5b12588 |
0.488 |
|
| 2015 |
Yang T, Parker DS, Dangi BB, Kaiser RI, Mebel AM. Formation of 5- and 6-methyl-1H-indene (C10H10) via the reactions of the para-tolyl radical (C6H4CH3) with allene (H2CCCH2) and methylacetylene (HCCCH3) under single collision conditions. Physical Chemistry Chemical Physics : Pccp. 17: 10510-9. PMID 25806373 DOI: 10.1039/C4Cp04288C |
0.419 |
|
| 2015 |
Muzangwa LG, Yang T, Parker DS, Kaiser RI, Mebel AM, Jamal A, Ryazantsev M, Morokuma K. A crossed molecular beam and ab initio study on the formation of 5- and 6-methyl-1,4-dihydronaphthalene (C11H12) via the reaction of meta-tolyl (C7H7) with 1,3-butadiene (C4H6). Physical Chemistry Chemical Physics : Pccp. 17: 7699-706. PMID 25712616 DOI: 10.1039/C5Cp00311C |
0.749 |
|
| 2015 |
Kaiser RI, Parker DS, Mebel AM. Reaction dynamics in astrochemistry: low-temperature pathways to polycyclic aromatic hydrocarbons in the interstellar medium. Annual Review of Physical Chemistry. 66: 43-67. PMID 25422849 DOI: 10.1146/Annurev-Physchem-040214-121502 |
0.479 |
|
| 2015 |
Yang T, Muzangwa L, Parker DS, Kaiser RI, Mebel AM. Formation of 2- and 1-methyl-1,4-dihydronaphthalene isomers via the crossed beam reactions of phenyl radicals (C6H5) with isoprene (CH2C(CH3)CHCH2) and 1,3-pentadiene (CH2CHCHCHCH3). Physical Chemistry Chemical Physics : Pccp. 17: 530-40. PMID 25406399 DOI: 10.1039/C4Cp04612A |
0.526 |
|
| 2015 |
Parker DS, Kaiser RI, Troy TP, Kostko O, Ahmed M, Mebel AM. Toward the Oxidation of the Phenyl Radical and Prevention of PAH Formation in Combustion Systems. The Journal of Physical Chemistry. A. 119: 7145-54. PMID 25354358 DOI: 10.1021/Jp509170X |
0.462 |
|
| 2015 |
Parker DSN, Kaiser RI, Kostko O, Troy TP, Ahmed M, Mebel AM, Tielens AGGM. Gas phase synthesis of (ISO)quinoline and its role in the formation of nucleobases in the interstellar medium Astrophysical Journal. 803. DOI: 10.1088/0004-637X/803/2/53 |
0.311 |
|
| 2015 |
Mebel AM, Kaiser RI. Formation of resonantly stabilised free radicals via the reactions of atomic carbon, dicarbon, and tricarbon with unsaturated hydrocarbons: theory and crossed molecular beams experiments International Reviews in Physical Chemistry. 34: 461-514. DOI: 10.1080/0144235X.2015.1075280 |
0.507 |
|
| 2015 |
Ribeiro JM, Mebel AM. Reaction mechanism and rate constants of the CH+CH<inf>4</inf> reaction: A theoretical study Molecular Physics. 113: 1865-1872. DOI: 10.1080/00268976.2015.1019584 |
0.459 |
|
| 2015 |
Mebel AM, Georgievskii Y, Jasper AW, Klippenstein SJ. Temperature- and pressure-dependent rate coefficients for the HACA pathways from benzene to naphthalene Proceedings of the Combustion Institute. DOI: 10.1016/j.proci.2016.07.013 |
0.371 |
|
| 2015 |
Kislov VV, Singh RI, Edwards DE, Mebel AM, Frenklach M. Rate coefficients and product branching ratios for the oxidation of phenyl and naphthyl radicals: A theoretical RRKM-ME study Proceedings of the Combustion Institute. 35: 1861-1869. DOI: 10.1016/j.proci.2014.06.135 |
0.313 |
|
| 2014 |
Kaiser RI, Dangi BB, Yang T, Parker DS, Mebel AM. Reaction dynamics of the 4-methylphenyl radical (p-tolyl) with 1,2-butadiene (1-methylallene): are methyl groups purely spectators? The Journal of Physical Chemistry. A. 118: 6181-90. PMID 25084134 DOI: 10.1021/Jp505868Q |
0.498 |
|
| 2014 |
Joalland B, Shi Y, Estillore AD, Kamasah A, Mebel AM, Suits AG. Dynamics of chlorine atom reactions with hydrocarbons: insights from imaging the radical product in crossed beams. The Journal of Physical Chemistry. A. 118: 9281-95. PMID 25076054 DOI: 10.1021/Jp504804N |
0.412 |
|
| 2014 |
Dangi BB, Yang T, Kaiser RI, Mebel AM. Reaction dynamics of the 4-methylphenyl radical (C6H4CH3; p-tolyl) with isoprene (C5H8)--formation of dimethyldihydronaphthalenes. Physical Chemistry Chemical Physics : Pccp. 16: 16805-14. PMID 25001291 DOI: 10.1039/C4Cp01056F |
0.519 |
|
| 2014 |
Joalland B, Shi Y, Kamasah A, Suits AG, Mebel AM. Roaming dynamics in radical addition-elimination reactions. Nature Communications. 5: 4064. PMID 24905903 DOI: 10.1038/Ncomms5064 |
0.456 |
|
| 2014 |
Yang T, Parker DS, Dangi BB, Kaiser RI, Kislov VV, Mebel AM. Crossed beam reactions of the phenyl (C6H5; X(2)A1) and phenyl-d5 radical (C6D5; X(2)A1) with 1,2-butadiene (H2CCCHCH3; X(1)A'). The Journal of Physical Chemistry. A. 118: 4372-81. PMID 24884962 DOI: 10.1021/Jp411642W |
0.455 |
|
| 2014 |
Ribeiro JM, Mebel AM. Reaction mechanism and product branching ratios of the CH + C₃H₈ reaction: a theoretical study. The Journal of Physical Chemistry. A. 118: 9080-6. PMID 24852070 DOI: 10.1021/jp502128z |
0.479 |
|
| 2014 |
Yang T, Parker DS, Dangi BB, Kaiser RI, Stranges D, Su YH, Chen SY, Chang AH, Mebel AM. Directed gas-phase formation of the ethynylsulfidoboron molecule. Journal of the American Chemical Society. 136: 8387-92. PMID 24842647 DOI: 10.1021/Ja502636U |
0.365 |
|
| 2014 |
Parker DS, Maity S, Dangi BB, Kaiser RI, Landera A, Mebel AM. Understanding the chemical dynamics of the reactions of dicarbon with 1-butyne, 2-butyne, and 1,2-butadiene--toward the formation of resonantly stabilized free radicals. Physical Chemistry Chemical Physics : Pccp. 16: 12150-63. PMID 24829078 DOI: 10.1039/C4Cp00639A |
0.813 |
|
| 2014 |
Dangi BB, Parker DS, Yang T, Kaiser RI, Mebel AM. Gas-phase synthesis of the benzyl radical (C(6)H(5)CH(2)). Angewandte Chemie (International Ed. in English). 53: 4608-13. PMID 24668925 DOI: 10.1002/Anie.201310612 |
0.594 |
|
| 2014 |
Dangi BB, Yang T, Kaiser RI, Mebel AM. Reaction dynamics of the 4-methylphenyl radical (C6H 4CH3; P-tolyl) with isoprene (C5H 8)-formation of dimethyldihydronaphthalenes Physical Chemistry Chemical Physics. 16: 16805-16814. DOI: 10.1039/c4cp01056f |
0.353 |
|
| 2014 |
Parker DSN, Maity S, Dangi BB, Kaiser RI, Landera A, Mebel AM. Understanding the chemical dynamics of the reactions of dicarbon with 1-butyne, 2-butyne, and 1,2-butadiene-toward the formation of resonantly stabilized free radicals Physical Chemistry Chemical Physics. 16: 12150-12163. DOI: 10.1039/c4cp00639a |
0.761 |
|
| 2014 |
Parker DSN, Mebel AM, Kaiser RI. The role of isovalency in the reactions of the cyano (CN), boron monoxide (BO), silicon nitride (SiN), and ethynyl (C2H) radicals with unsaturated hydrocarbons acetylene (C2H2) and ethylene (C2H4) Chemical Society Reviews. 43: 2701-2713. DOI: 10.1039/c3cs60328h |
0.359 |
|
| 2014 |
Yang T, Parker DSN, Dangi BB, Kaiser RI, Kislov VV, Mebel AM. Crossed beam reactions of the phenyl (C6H5; X 2A1) and phenyl- d 5 radical (C 6D5; X2A1) with 1,2-butadiene (H2CCCHCH3; X1A') Journal of Physical Chemistry A. 118: 4372-4381. DOI: 10.1021/jp411642w |
0.382 |
|
| 2014 |
Dangi BB, Parker DSN, Kaiser RI, Belisario-Lara D, Mebel AM. An experimental and theoretical investigation of the formation of C 7H7 isomers in the bimolecular reaction of dicarbon molecules with 1,3-pentadiene Chemical Physics Letters. 607: 92-99. DOI: 10.1016/J.Cplett.2014.05.058 |
0.545 |
|
| 2014 |
Parker DSN, Yang T, Kaiser RI, Landera A, Mebel AM. On the formation of ethynylbiphenyl (C14D5H 5; C6D5C6H4CCH) isomers in the reaction of D5-phenyl radicals (C6D5; X 2A1) with phenylacetylene (C6H 5C2H; X1A1) under single collision conditions Chemical Physics Letters. 595: 230-236. DOI: 10.1016/J.Cplett.2014.02.013 |
0.81 |
|
| 2014 |
Dangi BB, Parker DSN, Yang T, Kaiser RI, Mebel AM. Gas-phase synthesis of the benzyl radical (C6H 5CH2) Angewandte Chemie - International Edition. 53: 4608-4613. DOI: 10.1002/anie.201310612 |
0.311 |
|
| 2013 |
Parker DS, Dangi BB, Balucani N, Stranges D, Mebel AM, Kaiser RI. Gas-phase synthesis of phenyl oxoborane (C6H5BO) via the reaction of boron monoxide with benzene. The Journal of Organic Chemistry. 78: 11896-900. PMID 24191702 DOI: 10.1021/Jo401942Z |
0.43 |
|
| 2013 |
Parker DS, Balucani N, Stranges D, Kaiser RI, Mebel A. A crossed beam and ab initio investigation on the formation of boronyldiacetylene (HCCCC11BO; X1Σ+) via the reaction of the boron monoxide radical (11BO; X2Σ+) with diacetylene (C4H2; X1Σg(+)). The Journal of Physical Chemistry. A. 117: 8189-98. PMID 23879375 DOI: 10.1021/Jp405228F |
0.562 |
|
| 2013 |
Dangi BB, Parker DS, Kaiser RI, Jamal A, Mebel AM. A combined experimental and theoretical study on the gas-phase synthesis of toluene under single collision conditions. Angewandte Chemie (International Ed. in English). 52: 7186-9. PMID 23733333 DOI: 10.1002/Anie.201302344 |
0.713 |
|
| 2013 |
Dangi BB, Maity S, Kaiser RI, Mebel AM. A combined crossed beam and Ab initio investigation of the gas phase reaction of dicarbon molecules (C2; X1Σ g +/a3Πu) with propene (C 3H6; X1A′): Identification of the resonantly stabilized free radicals 1- and 3-vinylpropargyl Journal of Physical Chemistry A. 117: 11783-11793. PMID 23682723 DOI: 10.1021/Jp402700J |
0.554 |
|
| 2013 |
Kislov VV, Sadovnikov AI, Mebel AM. Formation mechanism of polycyclic aromatic hydrocarbons beyond the second aromatic ring Journal of Physical Chemistry A. 117: 4794-4816. PMID 23672431 DOI: 10.1021/jp402481y |
0.446 |
|
| 2013 |
Landera A, Mebel AM. Low-temperature mechanisms for the formation of substituted azanaphthalenes through consecutive CN and C2H additions to styrene and N-methylenebenzenamine: a theoretical study. Journal of the American Chemical Society. 135: 7251-63. PMID 23600331 DOI: 10.1021/Ja400227Q |
0.807 |
|
| 2013 |
Jamal A, Mebel AM. Theoretical investigation of the mechanism and product branching ratios of the reactions of cyano radical with 1- and 2-butyne and 1,2-butadiene. The Journal of Physical Chemistry. A. 117: 741-55. PMID 23305519 DOI: 10.1021/Jp3091045 |
0.783 |
|
| 2013 |
Golan A, Ahmed M, Mebel AM, Kaiser RI. A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions. Physical Chemistry Chemical Physics : Pccp. 15: 341-7. PMID 23165625 DOI: 10.1039/C2Cp42848B |
0.572 |
|
| 2013 |
Golan A, Ahmed M, Mebel AM, Kaiser RI. A VUV photoionization study of the multichannel reaction of phenyl radicals with 1,3-butadiene under combustion relevant conditions Physical Chemistry Chemical Physics. 15: 341-347. DOI: 10.1039/c2cp42848b |
0.387 |
|
| 2013 |
Parker DSN, Balucani N, Stranges D, Kaiser RI, Mebel A. A crossed beam and Ab initio investigation on the formation of boronyldiacetylene (HCCCC11BO; X 1Σ+) via the reaction of the boron monoxide radical (11BO; X 2Σ+) with Diacetylene (C4H2; X 1Σg +) Journal of Physical Chemistry A. 117: 8189-8198. DOI: 10.1021/jp405228f |
0.321 |
|
| 2013 |
Dangi BB, Parker DSN, Kaiser RI, Jamal A, Mebel AM. A combined experimental and theoretical study on the gas-phase synthesis of toluene under single collision conditions Angewandte Chemie - International Edition. 52: 7186-7189. DOI: 10.1002/anie.201302344 |
0.55 |
|
| 2012 |
Holness HK, Jamal A, Mebel A, Almirall JR. Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase. Analytical and Bioanalytical Chemistry. 404: 2407-16. PMID 22945558 DOI: 10.1007/S00216-012-6365-0 |
0.566 |
|
| 2012 |
Parker DS, Wilson AV, Kaiser RI, Labrador T, Mebel AM. Synthesis of the silaisocyanoacetylene molecule. Journal of the American Chemical Society. 134: 13896-901. PMID 22856647 DOI: 10.1021/Ja305569K |
0.381 |
|
| 2012 |
Mebel AM, Landera A. Product branching ratios in photodissociation of phenyl radical: a theoretical ab initio/Rice-Ramsperger-Kassel-Marcus study. The Journal of Chemical Physics. 136: 234305. PMID 22779591 DOI: 10.1063/1.4726455 |
0.795 |
|
| 2012 |
Kaiser RI, Mebel AM. On the formation of polyacetylenes and cyanopolyacetylenes in Titan's atmosphere and their role in astrobiology Chemical Society Reviews. 41: 5490-5501. PMID 22743612 DOI: 10.1039/C2Cs35068H |
0.49 |
|
| 2012 |
Dang TP, Sobczak AJ, Mebel AM, Chatgilialoglu C, Wnuk SF. Investigation of reactions postulated to occur during inhibition of ribonucleotide reductases by 2'-azido-2'-deoxynucleotides. Tetrahedron. 68: 5655-5667. PMID 22711937 DOI: 10.1016/J.Tet.2012.04.050 |
0.338 |
|
| 2012 |
Kaiser RI, Parker DSN, Zhang F, Landera A, Kislov VV, Mebel AM. PAH formation under single collision conditions: Reaction of phenyl radical and 1,3-butadiene to form 1,4-dihydronaphthalene Journal of Physical Chemistry A. 116: 4248-4258. PMID 22497458 DOI: 10.1021/Jp301775Z |
0.814 |
|
| 2012 |
Kislov VV, Mebel AM, Aguilera-Iparraguirre J, Green WH. Reaction of phenyl radical with propylene as a possible source of indene and other polycyclic aromatic hydrocarbons: an ab initio/RRKM-ME study. The Journal of Physical Chemistry. A. 116: 4176-91. PMID 22468969 DOI: 10.1021/Jp212338G |
0.565 |
|
| 2012 |
Parker DS, Zhang F, Kim YS, Kaiser RI, Landera A, Mebel AM. On the formation of phenyldiacetylene (C6H5CCCCH) and D5-phenyldiacetylene (C6D5CCCCH) studied under single collision conditions. Physical Chemistry Chemical Physics : Pccp. 14: 2997-3003. PMID 22281819 DOI: 10.1039/C2Cp22695B |
0.816 |
|
| 2012 |
Zhou CW, Kislov VV, Mebel AM. Reaction mechanism of naphthyl radicals with molecular oxygen. 1. Theoretical study of the potential energy surface. The Journal of Physical Chemistry. A. 116: 1571-85. PMID 22239650 DOI: 10.1021/jp2119313 |
0.417 |
|
| 2012 |
Parker DS, Zhang F, Kim YS, Kaiser RI, Landera A, Kislov VV, Mebel AM, Tielens AG. Low temperature formation of naphthalene and its role in the synthesis of PAHs (polycyclic aromatic hydrocarbons) in the interstellar medium. Proceedings of the National Academy of Sciences of the United States of America. 109: 53-8. PMID 22198769 DOI: 10.1073/Pnas.1113827108 |
0.807 |
|
| 2012 |
Kaiser RI, Parker DS, Goswami M, Zhang F, Kislov VV, Mebel AM, Aguilera-Iparraguirre J, Green WH. Crossed beam reaction of phenyl and D5-phenyl radicals with propene and deuterated counterparts--competing atomic hydrogen and methyl loss pathways. Physical Chemistry Chemical Physics : Pccp. 14: 720-9. PMID 22116319 DOI: 10.1039/C1Cp22758K |
0.54 |
|
| 2012 |
Parker DSN, Zhang F, Kim YS, Kaiser RI, Landera A, Mebel AM. On the formation of phenyldiacetylene (C 6H 5CCCCH) and D5-phenyldiacetylene (C 6D 5CCCCH) studied under single collision conditions Physical Chemistry Chemical Physics. 14: 2997-3003. DOI: 10.1039/c2cp22695b |
0.754 |
|
| 2011 |
Parker DSN, Zhang F, Kaiser RI, Kislov VV, Mebel AM. Indene formation under single-collision conditions from the reaction of phenyl radicals with allene and methylacetylene-A crossed molecular beam and ab initio study Chemistry - An Asian Journal. 6: 3035-3047. PMID 21956874 DOI: 10.1002/Asia.201100535 |
0.488 |
|
| 2011 |
Kaiser RI, Goswami M, Maksyutenko P, Zhang F, Kim YS, Landera A, Mebel AM. A crossed molecular beams and ab initio study on the formation of C6H3 radicals. an interface between resonantly stabilized and aromatic radicals. The Journal of Physical Chemistry. A. 115: 10251-8. PMID 21823627 DOI: 10.1021/Jp205795H |
0.82 |
|
| 2011 |
Jamal A, Mebel AM. Reactions of C2H with 1- and 2-butynes: an ab initio/RRKM study of the reaction mechanism and product branching ratios. The Journal of Physical Chemistry. A. 115: 2196-207. PMID 21355622 DOI: 10.1021/Jp111521J |
0.748 |
|
| 2011 |
Landera A, Kaiser RI, Mebel AM. Addition of one and two units of C2H to styrene: A theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures Journal of Chemical Physics. 134. PMID 21241094 DOI: 10.1063/1.3526957 |
0.817 |
|
| 2011 |
Parker DS, Zhang F, Kim YS, Kaiser RI, Mebel AM. On the formation of resonantly stabilized C5H3 radicals--a crossed beam and ab initio study of the reaction of ground state carbon atoms with vinylacetylene. The Journal of Physical Chemistry. A. 115: 593-601. PMID 21194192 DOI: 10.1021/Jp109800H |
0.517 |
|
| 2011 |
Jones BM, Zhang F, Kaiser RI, Jamal A, Mebel AM, Cordiner MA, Charnley SB. Formation of benzene in the interstellar medium. Proceedings of the National Academy of Sciences of the United States of America. 108: 452-7. PMID 21187430 DOI: 10.1073/Pnas.1012468108 |
0.739 |
|
| 2011 |
Wnuk SF, Penjarla JAK, Dang T, Mebel AM, Nauser T, Schöneich C. Modeling of the ribonucleotide reductases substrate reaction. Hydrogen atom abstraction by a thiyl free radical and detection of the ribosyl-based carbon radical by pulse radiolysis Collection of Czechoslovak Chemical Communications. 76: 1223-1238. DOI: 10.1135/Cccc2011085 |
0.485 |
|
| 2011 |
Zhang F, Parker D, Kim YS, Kaiser RI, Mebel AM. On the formation of ortho-benzyne (o-C6H4) under single collision conditions and its role in interstellar chemistry Astrophysical Journal. 728. DOI: 10.1088/0004-637X/728/2/141 |
0.463 |
|
| 2011 |
Zhang F, Kaiser RI, Kislov VV, Mebel AM, Golan A, Ahmed M. A VUV photoionization study of the formation of the indene molecule and its isomers Journal of Physical Chemistry Letters. 2: 1731-1735. DOI: 10.1021/Jz200715U |
0.428 |
|
| 2011 |
Kaiser RI, Goswami M, Maksyutenko P, Zhang F, Kim YS, Landera A, Mebel AM. A crossed molecular beams and Ab initio study on the formation of C 6H3 radicals. an interface between resonantly stabilized and aromatic radicals Journal of Physical Chemistry A. 115: 10251-10258. DOI: 10.1021/jp205795h |
0.786 |
|
| 2011 |
Parker DSN, Zhang F, Kim YS, Kaiser RI, Mebel AM. On the formation of resonantly stabilized C5H3 radicals - A crossed beam and ab initio study of the reaction of ground state carbon atoms with vinylacetylene Journal of Physical Chemistry A. 115: 593-601. DOI: 10.1021/jp109800h |
0.418 |
|
| 2011 |
Jamal A, Mebel AM. An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with 1,2-butadiene Chemical Physics Letters. 518: 29-37. DOI: 10.1016/J.Cplett.2011.10.064 |
0.761 |
|
| 2011 |
Landera A, Mebel AM. Addition of vinylacetylene (C 4H 4) to phenyl radical (C 6H 5): A theoretical and kinetic investigation towards the formation of naphthalene in combustion flames Acs National Meeting Book of Abstracts. |
0.788 |
|
| 2010 |
Landera A, Mebel AM. Mechanisms of formation of nitrogen-containing polycyclic aromatic compounds in low-temperature environments of planetary atmospheres: a theoretical study. Faraday Discussions. 147: 479-94; discussion 5. PMID 21302561 DOI: 10.1039/C003475D |
0.777 |
|
| 2010 |
Sebree JA, Kislov VV, Mebel AM, Zwier TS. Isomer specific spectroscopy of C10Hn, n = 8-12: exploring pathways to naphthalene in Titan's atmosphere. Faraday Discussions. 147: 231-49; discussion 2. PMID 21302550 DOI: 10.1039/C003657A |
0.395 |
|
| 2010 |
Gichuhi WK, Mebel AM, Suits AG. UV photodissociation of ethylamine cation: a combined experimental and theoretical investigation. The Journal of Physical Chemistry. A. 114: 13296-302. PMID 21128615 DOI: 10.1021/Jp107913P |
0.438 |
|
| 2010 |
Zhang F, Maksyutenko P, Kaiser RI, Mebel AM, Gregušová A, Perera SA, Bartlett RJ. On the directed gas phase synthesis of the imidoborane molecule (HNBH)--an isoelectronic molecule of acetylene (HCCH). The Journal of Physical Chemistry. A. 114: 12148-54. PMID 21038899 DOI: 10.1021/Jp107210D |
0.408 |
|
| 2010 |
Sebree JA, Kislov VV, Mebel AM, Zwier TS. Spectroscopic and thermochemical consequences of site-specific H-atom addition to naphthalene. The Journal of Physical Chemistry. A. 114: 6255-62. PMID 20462227 DOI: 10.1021/Jp103793E |
0.419 |
|
| 2010 |
Jones B, Zhang F, Maksyutenko P, Mebel AM, Kaiser RI. Crossed molecular beam study on the formation of phenylacetylene and its relevance to Titan's atmosphere. The Journal of Physical Chemistry. A. 114: 5256-62. PMID 20369875 DOI: 10.1021/Jp912054P |
0.49 |
|
| 2010 |
Jamal A, Mebel AM. An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene. Physical Chemistry Chemical Physics : Pccp. 12: 2606-18. PMID 20200737 DOI: 10.1039/B920977H |
0.768 |
|
| 2010 |
Zhang F, Jones B, Maksyutenko P, Kaiser RI, Chin C, Kislov VV, Mebel AM. Formation of the phenyl radical [C6H5(X(2)A1)] under single collision conditions: a crossed molecular beam and ab initio study. Journal of the American Chemical Society. 132: 2672-83. PMID 20136077 DOI: 10.1021/Ja908559V |
0.551 |
|
| 2010 |
Huang C, Zhang F, Kaiser RI, Kislov VV, Mebel AM, Silva R, Gichuhi WK, Suits AG. Photodissociation of the diacetylene dimer and implications for hydrocarbon growth in Titan's atmosphere Astrophysical Journal. 714: 1249-1255. DOI: 10.1088/0004-637X/714/2/1249 |
0.422 |
|
| 2010 |
Kislov VV, Mebel AM. Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene Journal of Physical Chemistry A. 114: 7682-7692. DOI: 10.1021/jp911604f |
0.52 |
|
| 2010 |
Kaiser RI, Mebel A, Kostko O, Ahmed M. On the ionization energies of C4H3 isomers Chemical Physics Letters. 485: 281-285. DOI: 10.1016/J.Cplett.2009.12.027 |
0.573 |
|
| 2010 |
MEBEL AM, MOROKUMA K. ChemInform Abstract: Theoretical Study of the Reaction of HCl with ClONO2 Catalyzed by NO3. “Attachment-Detachment” Mechanism for the Anion-Catalyzed Neutral Reactions. Cheminform. 27: no-no. DOI: 10.1002/CHIN.199626018 |
0.325 |
|
| 2010 |
MEBEL AM, MUSAEV DG, MOROKUMA K. ChemInform Abstract: Ab initio Molecular Orbital Study of Mechanisms of the Reaction of B2H6 with SH2 Cheminform. 24: no-no. DOI: 10.1002/chin.199344005 |
0.321 |
|
| 2009 |
Silva R, Gichuhi WK, Kislov VV, Landera A, Mebel AM, Suits AG. UV photodissociation of cyanoacetylene: a combined ion imaging and theoretical investigation. The Journal of Physical Chemistry. A. 113: 11182-6. PMID 19827850 DOI: 10.1021/Jp904183A |
0.725 |
|
| 2009 |
Zhou CW, Mebel AM, Li XY. An ab initio/rice--Ramsperger--Kassel--Marcus study of the reactions of propenols with OH. Mechanism and kinetics of H abstraction channels. The Journal of Physical Chemistry. A. 113: 10667-77. PMID 19746962 DOI: 10.1021/jp903103s |
0.393 |
|
| 2009 |
Krishtal SP, Mebel AM, Kaiser RI. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface. The Journal of Physical Chemistry. A. 113: 11112-28. PMID 19610595 DOI: 10.1021/Jp904033A |
0.55 |
|
| 2009 |
Zhang F, Kim S, Kaiser RI, Jamal A, Mebel AM. A crossed beams and ab initio investigation on the formation of cyanodiacetylene in the reaction of cyano radicals with diacetylene. The Journal of Chemical Physics. 130: 234308. PMID 19548728 DOI: 10.1063/1.3152714 |
0.704 |
|
| 2009 |
Zhang F, Kim YS, Kaiser RI, Krishtal SP, Mebel AM. Crossed molecular beams study on the formation of vinylacetylene in Titan's atmosphere. The Journal of Physical Chemistry. A. 113: 11167-73. PMID 19522519 DOI: 10.1021/Jp9032595 |
0.555 |
|
| 2009 |
Zhang F, Kim S, Kaiser RI, Mebel AM. Formation of the 1,3,5-hexatriynyl radical (C6H(X(2)Pi)) via the crossed beams reaction of dicarbon (C2(X(1)Sigma(g)+/a(3)Pi(u))), with diacetylene (C4H2(X(1)Sigma(g)+)). The Journal of Physical Chemistry. A. 113: 1210-7. PMID 19161290 DOI: 10.1021/Jp807685V |
0.559 |
|
| 2009 |
Gu X, Kaiser RI, Mebel AM, Kislov VV, Klippenstein SJ, Harding LB, Liang MC, Yung YL. A crossed molecular beams study on the formation of the exotic cyanoethynyl radical in titan's atmosphere Astrophysical Journal. 701: 1797-1803. DOI: 10.1088/0004-637X/701/2/1797 |
0.403 |
|
| 2009 |
Mebel AM, Kislov VV. Can the C5H5 + C5H5 →C10H10→ →C10H9 + H/C10H8 + H2 reaction produce naphthalene? An ab initio/RRKM study Journal of Physical Chemistry A. 113: 9825-9833. DOI: 10.1021/jp905931j |
0.566 |
|
| 2009 |
Kaiser RI, Zhang F, Gu X, Kislov VV, Mebel AM. Reaction dynamics of the phenyl radical (C6H5) with 1-butyne (HCCC2H5) and 2-butyne (CH3CCCH3) Chemical Physics Letters. 481: 46-53. DOI: 10.1016/J.Cplett.2009.09.057 |
0.573 |
|
| 2009 |
Gu X, Zhang F, Kaiser RI, Kislov VV, Mebel AM. Reaction dynamics of the phenyl radical with 1,2-butadiene Chemical Physics Letters. 474: 51-56. DOI: 10.1016/J.Cplett.2009.04.041 |
0.571 |
|
| 2008 |
Mebel AM, Bandrauk AD. Theoretical study of unimolecular decomposition of allene cations. The Journal of Chemical Physics. 129: 224311. PMID 19071920 DOI: 10.1063/1.3037204 |
0.474 |
|
| 2008 |
Mebel AM, Kislov VV, Kaiser RI. Photoinduced mechanism of formation and growth of polycyclic aromatic hydrocarbons in low-temperature environments via successive ethynyl radical additions. Journal of the American Chemical Society. 130: 13618-29. PMID 18795780 DOI: 10.1021/Ja804198A |
0.393 |
|
| 2008 |
Silva R, Gichuhi WK, Huang C, Doyle MB, Kislov VV, Mebel AM, Suits AG. H elimination and metastable lifetimes in the UV photoexcitation of diacetylene. Proceedings of the National Academy of Sciences of the United States of America. 105: 12713-8. PMID 18697925 DOI: 10.1073/Pnas.0801180105 |
0.379 |
|
| 2008 |
Landera A, Krishtal SP, Kislov VV, Mebel AM, Kaiser RI. Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions. The Journal of Chemical Physics. 128: 214301. PMID 18537416 DOI: 10.1063/1.2929821 |
0.815 |
|
| 2008 |
Zyubina TS, Mebel AM, Hayashi M, Lin SH. Theoretical study of multiphoton ionization of cyclohexadienes and unimolecular decomposition of their mono- and dications Physical Chemistry Chemical Physics. 10: 2321-2331. PMID 18414724 DOI: 10.1039/b719979a |
0.388 |
|
| 2008 |
Gu X, Kaiser RI, Mebel AM. Chemistry of energetically activated cumulenes - from allene (H2CCCH2) to hexapentaene (H2CCCCCCH2). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 350-69. PMID 18275046 DOI: 10.1002/Cphc.200700609 |
0.383 |
|
| 2008 |
Kislov VV, Mebel AM. An ab initio G3-type/statistical theory study of the formation of indene in combustion flames. II. The pathways originating from reactions of cyclic C 5 species-cyclopentadiene and cyclopentadienyl radicals Journal of Physical Chemistry A. 112: 700-716. PMID 18181589 DOI: 10.1021/jp077493f |
0.497 |
|
| 2008 |
Landera A, Mebel AM, Kaiser RI. Theoretical study of the reaction mechanism of ethynyl radical with benzene and related reactions on the C8H7 potential energy surface Chemical Physics Letters. 459: 54-59. DOI: 10.1016/J.Cplett.2008.05.043 |
0.82 |
|
| 2008 |
Gu X, Kaiser RI, Mebel AM. ChemInform Abstract: Chemistry of Energetically Activated Cumulenes : From Allene (H2C=C=CH2) to Hexapentaene (H2C=C=C=C=C=CH2) Cheminform. 39. DOI: 10.1002/chin.200840250 |
0.359 |
|
| 2007 |
Dyakov YA, Mebel AM, Lin SH, Lee YT, Ni CK. Photodissociation of 1,3,5-triazine: an ab initio and RRKM study. The Journal of Physical Chemistry. A. 111: 9591-9. PMID 17722898 DOI: 10.1021/JP0740649 |
0.343 |
|
| 2007 |
Lin MF, Dyakov YA, Lee YT, Lin SH, Mebel AM, Ni CK. Photodissociation of S atom containing amino acid chromophores. The Journal of Chemical Physics. 127: 064308. PMID 17705597 DOI: 10.1063/1.2761916 |
0.336 |
|
| 2007 |
Guo Y, Gu X, Zhang F, Mebel AM, Kaiser RI. A crossed molecular beam study on the formation of hexenediynyl radicals (H2CCCCCCH; C6H3 (X2A′)) via reactions of tricarbon molecules, C3(X1Σ g +), with allene (H2CCCH2; X 1A1) and methylacetylene (CH3CCH; X 1A1) Physical Chemistry Chemical Physics. 9: 1972-1979. PMID 17431525 DOI: 10.1039/B618179A |
0.586 |
|
| 2007 |
Mebel AM, Kim GS, Kislov VV, Kaiser RI. The reaction of tricarbon with acetylene: an ab initio/RRKM study of the potential energy surface and product branching ratios. The Journal of Physical Chemistry. A. 111: 6704-12. PMID 17391012 DOI: 10.1021/Jp0690300 |
0.572 |
|
| 2007 |
Dyakov YA, Ni CK, Lin SH, Lee YT, Mebel AM. Photodissociation of azulene at 193 nm: ab initio and RRKM study. The Journal of Physical Chemistry. A. 109: 8774-84. PMID 16834280 DOI: 10.1021/Jp053218M |
0.367 |
|
| 2007 |
Mebel AM, Kislov VV, Hayashi M. Prediction of product branching ratios in the C(3P)+C 2H2 →l- C3H+Hc-C3H+HC 3+H2 reaction using ab initio coupled clusters calculations extrapolated to the complete basis set combined with Rice-Ramsperger-Kassel-Marcus and radiationless transition theories Journal of Chemical Physics. 126. DOI: 10.1063/1.2736683 |
0.508 |
|
| 2007 |
Kislov VV, Mebel AM. The formation of naphthalene, azulene, and fulvalene from cyclic C 5 species in combustion: An ab initio/RRKM study of 9-H-fulvalenyl (C 5H 5-C 5H 4) radical rearrangements Journal of Physical Chemistry A. 111: 9532-9543. DOI: 10.1021/jp0732099 |
0.511 |
|
| 2007 |
Guo Y, Mebel AM, Zhang F, Gu X, Kaiser RI. Crossed molecular beam studies of the reactions of allyl radicals, C 3H5(X2A2), with methylacetylene (CH3CCH(X1A1)), allene (H2CCCH 2(X1A1)), and their isotopomers Journal of Physical Chemistry A. 111: 4914-4921. DOI: 10.1021/jp0714466 |
0.472 |
|
| 2007 |
Mebel AM, Kim GS, Kislov VV, Kaiser RI. The reaction of tricarbon with acetylene: An ab initio/RRKM study of the potential energy surface and product branching ratios Journal of Physical Chemistry A. 111: 6704-6712. DOI: 10.1021/jp0690300 |
0.325 |
|
| 2007 |
Kislov VV, Mebel AM. Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical Journal of Physical Chemistry A. 111: 3922-3931. DOI: 10.1021/jp067135x |
0.51 |
|
| 2007 |
Gu X, Guo Y, Mebel AM, Kaiser RI. A crossed beam investigation of the reactions of tricarbon molecules, C3 (X1 Σg +), with acetylene, C2 H2 (X1 Σg +), ethylene, C2 H4 (X1 Ag), and benzene, C6 H6 (X1 A1 g) Chemical Physics Letters. 449: 44-52. DOI: 10.1016/J.Cplett.2007.10.041 |
0.364 |
|
| 2007 |
Gu X, Guo Y, Zhang F, Mebel AM, Kaiser RI. A crossed molecular beams study of the reaction of dicarbon molecules with benzene Chemical Physics Letters. 436: 7-14. DOI: 10.1016/J.Cplett.2006.12.094 |
0.531 |
|
| 2007 |
Gu X, Guo Y, Zhang F, Mebel AM, Kaiser RI. A crossed molecular beams study on the formation and energetics of the resonantly stabilized free i-C4H3(X2A′) radical and its isotopomers Chemical Physics. 335: 95-108. DOI: 10.1016/J.Chemphys.2007.03.027 |
0.544 |
|
| 2006 |
Gu X, Guo Y, Zhang F, Mebel AM, Kaiser RI. Reaction dynamics of carbon-bearing radicals in circumstellar envelopes of carbon stars. Faraday Discussions. 133: 245-75; discussion 3. PMID 17191451 DOI: 10.1039/B516457E |
0.515 |
|
| 2006 |
Gu X, Guo Y, Mebel AM, Kaiser RI. Chemical dynamics of the formation of the 1,3-butadiynyl radical (C4H(X2Sigma+)) and its isotopomers. The Journal of Physical Chemistry. A. 110: 11265-78. PMID 17004736 DOI: 10.1021/Jp063256L |
0.542 |
|
| 2006 |
Guo Y, Gu X, Zhang F, Mebel AM, Kaiser RI. Unimolecular decomposition of chemically activated pentatetraene (H2CCCCCH2) intermediates: A crossed beams study of dicarbon molecule reactions with allene. The Journal of Physical Chemistry. A. 110: 10699-707. PMID 16970359 DOI: 10.1021/Jp062447L |
0.475 |
|
| 2006 |
Dyakov YA, Ni CK, Lin SH, Lee YT, Mebel AM. Ab initio and RRKM study of photodissociation of azulene cation. Physical Chemistry Chemical Physics : Pccp. 8: 1404-15. PMID 16633622 DOI: 10.1039/B516437K |
0.438 |
|
| 2006 |
Kislov VV, Nguyen TL, Mebel AM, Lin SH, Smith SC. Photodissociation of benzene under collision-free conditions: an ab initio/Rice-Ramsperger-Kassel-Marcus study. The Journal of Chemical Physics. 120: 7008-17. PMID 15267601 DOI: 10.1063/1.1676275 |
0.452 |
|
| 2006 |
Mebel AM, Kisiov VV, Kaiser RI. Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C 4H 4 potential energy surface and of the reactions of C 2 (X 1Σ g+) with C 4H 4 (X 1 A 1g+) and C( 1D) with C 3H 4 (allene and methylacetylene) Journal of Chemical Physics. 125. DOI: 10.1063/1.2227378 |
0.42 |
|
| 2006 |
Mebel AM, Kislov VV, Kaiser RI. Potential energy surface and product branching ratios for the reaction of dicarbon, C 2(X 1∑ g +), with methylacetylene, CH 3CCH(X 1A 1): An Ab Initio/RRKM study Journal of Physical Chemistry A. 110: 2421-2433. DOI: 10.1021/Jp054309M |
0.523 |
|
| 2005 |
Kislov VV, Islamova NI, Kolker AM, Lin SH, Mebel AM. Hydrogen Abstraction Acetylene Addition and Diels-Alder Mechanisms of PAH Formation: A Detailed Study Using First Principles Calculations. Journal of Chemical Theory and Computation. 1: 908-24. PMID 26641907 DOI: 10.1021/ct0500491 |
0.473 |
|
| 2005 |
Mebel AM, Kislov VV. The C2H3 + O2 reaction revisited: is multireference treatment of the wave function really critical? The Journal of Physical Chemistry. A. 109: 6993-7. PMID 16834061 DOI: 10.1021/jp052772t |
0.364 |
|
| 2005 |
Tokmakov IV, Kim GS, Kislov VV, Mebel AM, Lin MC. The reaction of phenyl radical with molecular oxygen: a G2M study of the potential energy surface. The Journal of Physical Chemistry. A. 109: 6114-27. PMID 16833949 DOI: 10.1021/Jp051712K |
0.439 |
|
| 2005 |
Jamieson CS, Mebel AM, Kaiser RI. A matrix isolation study of the C(s) symmetric OCNO(X 2A'') radical. Physical Chemistry Chemical Physics : Pccp. 7: 4089-95. PMID 16474873 DOI: 10.1039/B511978B |
0.335 |
|
| 2005 |
Zyubina TS, Dyakov YA, Lin SH, Bandrauk AD, Mebel AM. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states. The Journal of Chemical Physics. 123: 134320. PMID 16223301 DOI: 10.1063/1.2050649 |
0.432 |
|
| 2005 |
Lin MF, Dyakov YA, Tseng CM, Mebel AM, Lin SH, Lee YT, Ni CK. Photodissociation dynamics of pyridine. The Journal of Chemical Physics. 123: 054309. PMID 16108641 DOI: 10.1063/1.1994849 |
0.392 |
|
| 2005 |
Mebel AM, Zyubina TS, Dyakov YA, Bandrauk AD, Lin SH. Potential energy surfaces in coulomb explosion of polyatomic molecules: Benzene and cyclohexane trications and acetylene dication International Journal of Quantum Chemistry. 102: 506-519. DOI: 10.1002/Qua.20436 |
0.415 |
|
| 2004 |
Zyubina TS, Shilov GV, Dobrovolsky YA, Leonova LS, Mebel AM. Singularity of proton transport in salts of orthoperiodic and orthotellurium acids: theoretical modeling using density functional calculations. Dalton Transactions (Cambridge, England : 2003). 2170-9. PMID 15249954 DOI: 10.1039/B401823K |
0.317 |
|
| 2004 |
Hwang DY, Mebel AM. Theoretical study of TiO-catalyzed hydrogenation of carbon dioxide to formic acid Journal of Physical Chemistry A. 108: 10245-10251. DOI: 10.1021/jp047424q |
0.353 |
|
| 2004 |
Wang L, Mebel AM, Yang X, Wang X. Ab initio/RRKM study of the O( 1D) + NH 3 reaction: Prediction of product branching ratios Journal of Physical Chemistry A. 108: 11644-11650. DOI: 10.1021/Jp0458452 |
0.377 |
|
| 2004 |
Chin CH, Mebel AM, Hwang DY. Theoretical Study of the Reaction Mechanism of BO, B 2O 2, and BS with H 2 Journal of Physical Chemistry A. 108: 473-483. DOI: 10.1021/jp0357471 |
0.395 |
|
| 2004 |
Hwang DY, Mebel AM. Reaction mechanism of hydrogenation of carbon dioxide to formic acid in the presence of scandium oxide: A density functional study Chemical Physics Letters. 396: 75-82. DOI: 10.1016/j.cplett.2004.07.113 |
0.379 |
|
| 2004 |
Zyubina TS, Lin SH, Bandrauk AD, Mebel AM. Dissociation pathways of cyclohexane trication Chemical Physics Letters. 393: 470-477. DOI: 10.1016/J.Cplett.2004.06.088 |
0.504 |
|
| 2004 |
Hwang DY, Mebel AM. Theoretical study of the reaction mechanism of nitrogen hydrogenation on transition metal oxides (TiO, VO, and CuO) Chemical Physics. 304: 301-313. DOI: 10.1016/j.chemphys.2004.06.045 |
0.367 |
|
| 2004 |
Chin C, Mebel AM, Hwang D. Theoretical Study of the Reaction Mechanism of BO, B2O2, and BS with H2 Cheminform. 35. DOI: 10.1002/CHIN.200414003 |
0.388 |
|
| 2004 |
Charkin OP, Klimenko NM, Charkin DO, Mebel AM. Theoretical study of host-guest interaction in model endohedral fullerenes with tetrahedral molecules and ions of MH4 hydrides into the C60H36, C60H24, C84, and C60 cages Zhurnal Neorganicheskoj Khimii. 49: 953-967. |
0.343 |
|
| 2004 |
Charkin OP, Klimenko NM, Charkin DO, Mebel AM. Theoretical study of host-guest interaction in model endohedral fullerenes with CH4 and He4 into the C60H36, C60H24, C84, and C60 cages Zhurnal Neorganicheskoj Khimii. 49: 792-804. |
0.334 |
|
| 2003 |
Huang CL, Jiang JC, Mebel AM, Lee YT, Ni CK. Photodissociation dynamics of fluorobenzene. Journal of the American Chemical Society. 125: 9814-20. PMID 12904047 DOI: 10.1021/Ja030185K |
0.429 |
|
| 2003 |
Lee HY, Kislov VV, Lin SH, Mebel AM, Neumark DM. An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 726-40. PMID 12569465 DOI: 10.1002/Chem.200390081 |
0.5 |
|
| 2003 |
Zyubin TS, Kim G, Mebel AM, Lin SH, Bandrauk AD. Ab Initio/RRKM Study of Dissociation Mechanism of Benzene Trication Journal of Theoretical and Computational Chemistry. 2: 205-231. DOI: 10.1142/S0219633603000410 |
0.373 |
|
| 2003 |
Lin M, Huang C, Kislov VV, Mebel AM, Lee YT, Ni C. H and CH3 eliminations in the photodissociation of chlorotoluene The Journal of Chemical Physics. 119: 7701-7704. DOI: 10.1063/1.1609393 |
0.439 |
|
| 2003 |
Hwang DY, Mebel AM. Reaction mechanism of the synthesis of ammonia in the N2/H2/BeO and N2/H2/FeO systems: A theoretical study Journal of Physical Chemistry A. 107: 5092-5100. DOI: 10.1021/jp034416l |
0.37 |
|
| 2003 |
Nguyen TL, Mebel AM, Kaiser RI. Potential energy surface and product branching ratios for the reaction of C(3Pj) with the allyl radical: An ab initio/RRKM study Journal of Physical Chemistry A. 107: 2990-2999. DOI: 10.1021/Jp034074J |
0.542 |
|
| 2003 |
Hwang DY, Mebel AM. Reaction mechanism of N2/H2 conversion to NH 3: A theoretical study Journal of Physical Chemistry A. 107: 2865-2874. DOI: 10.1021/jp0270349 |
0.481 |
|
| 2003 |
Chin CH, Mebel AM, Hwang DY. Theoretical study of the reaction mechanism of boron atom with carbon dioxide Chemical Physics Letters. 375: 670-675. DOI: 10.1016/S0009-2614(03)00964-3 |
0.368 |
|
| 2003 |
Hwang DY, Mebel AM. Reaction mechanism of nitrogen hydrogenation in the presence of scandium oxide: A density functional study Chemical Physics Letters. 375: 17-25. DOI: 10.1016/S0009-2614(03)00779-6 |
0.316 |
|
| 2003 |
Kaiser RI, Balucani N, Charkin DO, Mebel AM. A crossed beam and ab initio study of the C2(X 1Σg+/a3∏u) + C2H2(X1Σg+) reactions Chemical Physics Letters. 382: 112-119. DOI: 10.1016/J.Cplett.2003.10.023 |
0.553 |
|
| 2003 |
Hwang D, Mebel AM. Reaction Mechanism of N2/H2 Conversion to NH3: A Theoretical Study Cheminform. 34. DOI: 10.1002/CHIN.200326005 |
0.364 |
|
| 2002 |
Xia WS, Zhu RS, Lin MC, Mebel AM. Low-energy paths for the unimolecular decomposition of CH3OH: a G2M/statistical theory study. Faraday Discussions. 191-205; discussion . PMID 11877991 DOI: 10.1039/B102057I |
0.394 |
|
| 2002 |
Charkin OP, Klimenko NM, Moran D, Mebel AM, Charkin DO, Schleyer PR. Theoretical study of icosahedral closo-borane, -alane, and -gallane dianions (A(12)H(12)(2-); A = B, Al, Ga) with endohedral noble gas atoms (Ng = He, Ne, Ar, and Kr) and their lithium salts (Li[Ng@A(12)H(12)](-) and Li(2)[Ng@A(12)H(12)]). Inorganic Chemistry. 40: 6913-22. PMID 11754272 DOI: 10.1021/Ic010573S |
0.312 |
|
| 2002 |
Mebel AM, Kaiser RI. The formation of interstellar C2N isomers in circumstellar envelopes of carbon stars: An ab initio study Astrophysical Journal. 564: 787-791. DOI: 10.1086/324334 |
0.404 |
|
| 2002 |
Kaiser RI, Mebel AM. The reactivity of ground-state carbon atoms with unsaturated hydrocarbons in combustion flames and in the interstellar medium International Reviews in Physical Chemistry. 21: 307-356. DOI: 10.1080/01442350210136602 |
0.332 |
|
| 2002 |
Wang CC, Shu J, Lin JJ, Lee YT, Yang X, Nguyen TL, Mebel AM. Experimental and theoretical investigations of the O([sup 1]D) reaction with cyclopropane The Journal of Chemical Physics. 116: 8292. DOI: 10.1063/1.1466468 |
0.394 |
|
| 2002 |
Hwang DY, Mebel AM. Ab initio study of the reaction mechanism of CO2 with Ti atom in the ground and excited electronic states Journal of Chemical Physics. 116: 5633-5642. DOI: 10.1063/1.1453954 |
0.32 |
|
| 2002 |
Kaiser RI, Nguyen TL, Mebel AM, Lee YT. Stripping dynamics in the reactions of electronically excited carbon atoms, C(1D), with ethylene and propylene-production of propargyl and methylpropargyl radicals Journal of Chemical Physics. 116: 1318-1324. DOI: 10.1063/1.1428754 |
0.484 |
|
| 2002 |
Hwang DY, Mebel AM. Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): A theoretical study Journal of Physical Chemistry A. 106: 12072-12083. DOI: 10.1021/jp026414r |
0.443 |
|
| 2002 |
Kislov VV, Mebel AM, Lin SH. Ab initio and DFT study of the formation mechanisms of polycyclic aromatic hydrocarbons: The phenanthrene synthesis from biphenyl and naphthalene Journal of Physical Chemistry A. 106: 6171-6182. DOI: 10.1021/jp020406t |
0.463 |
|
| 2002 |
Hwang DY, Mebel AM. Ab initio study of the reaction mechanisms of NiO and NiS with H2 Journal of Physical Chemistry A. 106: 520-528. DOI: 10.1021/jp012650a |
0.412 |
|
| 2002 |
Hwang DV, Mebel AM. Theoretical study of the reaction mechanism of platinum oxide with methane Chemical Physics Letters. 365: 140-147. DOI: 10.1016/S0009-2614(02)01431-8 |
0.485 |
|
| 2002 |
Mebel AM, Kaiser RI. An ab initio study on the formation of interstellar tricarbon isomers 1-C 3(X 1∑ g +) and c-C 3(X 3A′ 2) Chemical Physics Letters. 360: 139-143. DOI: 10.1016/S0009-2614(02)00781-9 |
0.434 |
|
| 2002 |
Zyubina T, Kim G, Lin S, Mebel A, Bandrauk A. Dissociation pathways of benzene trication Chemical Physics Letters. 359: 253-261. DOI: 10.1016/S0009-2614(02)00734-0 |
0.426 |
|
| 2002 |
Hwang DV, Mebel AM. Theoretical study on the reaction mechanism of Sc atoms with carbon dioxide Chemical Physics Letters. 357: 51-58. DOI: 10.1016/S0009-2614(02)00438-4 |
0.314 |
|
| 2001 |
Kaiser RI, Le TN, Nguyen TL, Mebel AM, Balucani N, Lee YT, Stahl F, Schleyer PR, Schaefer HF. A combined crossed molecular beam and ab initio investigation of C2 and C3 elementary reactions with unsaturated hydrocarbons--pathways to hydrogen deficient hydrocarbon radicals in combustion flames. Faraday Discussions. 51-66; discussion 12. PMID 11878006 DOI: 10.1039/B101967H |
0.562 |
|
| 2001 |
Kaiser RI, Mebel AM, Lee YT, Chang AHH. Unimolecular decomposition of chemically activated triplet C4HD3 complexes: A combined crossed-beam and ab initio study Journal of Chemical Physics. 115: 5117-5125. DOI: 10.1063/1.1394214 |
0.361 |
|
| 2001 |
Shu J, Lin JJ, Wang CC, Lee YT, Yang X, Nguyen TL, Mebel AM. O(1D) reaction with cyclopropane: Evidence of O atom insertion into the C–C bond The Journal of Chemical Physics. 115: 7-10. DOI: 10.1063/1.1383792 |
0.357 |
|
| 2001 |
Mebel AM, Hayashi M, Jackson WM, Wrobel J, Green M, Xu D, Lin SH. Branching ratios of C2 products in the photodissociation of C2H at 193 nm Journal of Chemical Physics. 114: 9821-9831. DOI: 10.1063/1.1370942 |
0.332 |
|
| 2001 |
Zyubin AS, Mebel AM, Chao SD, Skodje RT. Reaction dynamics of S(1D)+H2/D2 on a new ab initio potential surface Journal of Chemical Physics. 114: 320-330. DOI: 10.1063/1.1329887 |
0.347 |
|
| 2001 |
Hwang DY, Mebel AM. Conversion of CO to formaldehyde catalyzed by BeO: A theoretical study Journal of Physical Chemistry A. 105: 10433-10438. DOI: 10.1021/jp0122171 |
0.477 |
|
| 2001 |
Mebel AM, Hwang DY. Theoretical study of the reaction mechanism of Fe atoms with H2O, H2S, O2 and H+ Journal of Physical Chemistry A. 105: 7460-7467. DOI: 10.1021/jp011324s |
0.368 |
|
| 2001 |
Nguyen TL, Mebel AM, Kaiser RI. A Theoretical Investigation of the Triplet Carbon Atom C(3P) + Vinyl Radical C2H3(2A‘) Reaction and Thermochemistry of C3Hn(n= 1−4) Species The Journal of Physical Chemistry A. 105: 3284-3299. DOI: 10.1021/jp003224c |
0.413 |
|
| 2001 |
Hwang DY, Mebel AM. Theoretical study of the reaction of beryllium oxide with methane Chemical Physics Letters. 348: 303-310. DOI: 10.1016/S0009-2614(01)01120-4 |
0.367 |
|
| 2001 |
Hwang DY, Mebel AM. Theoretical study of the reaction mechanism of ScO with molecular hydrogen Chemical Physics Letters. 341: 393-399. DOI: 10.1016/S0009-2614(01)00502-4 |
0.41 |
|
| 2001 |
Le TN, Mebel AM, Kaiser RI. Ab initio study of C4H3 potential energy surface and reaction of ground-state carbon atom with propargyl radical Journal of Computational Chemistry. 22: 1522-1535. DOI: 10.1002/jcc.1105 |
0.417 |
|
| 2001 |
Le TN, Lee HY, Mebel AM, Kaiser RI. Ab initio MO study of the triplet C3H4 potential energy surface and the reaction of C(3Pj) with ethylene, C2H4 Journal of Physical Chemistry A. 105: 1847-1856. |
0.544 |
|
| 2001 |
Xia WS, Zhu RS, Lin MC, Mebel AM. Low-energy paths for the unimolecular decomposition of CH3OH: A G2M/statistical theory study Faraday Discussions. 119: 191-205. |
0.394 |
|
| 2001 |
Balucani N, Mebel AM, Lee YT, Kaiser RI. A combined crossed molecular beam and ab initio study of the reactions C2(X1Σg+, a3Πu) + C2H4 → n-C4H3(X2A′) + H(2S1/2) Journal of Physical Chemistry A. 105. |
0.5 |
|
| 2000 |
Huang LCL, Lee HY, Mebel AM, Lin SH, Lee YT, Kaiser RI. A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. II. The dimethylacetylene molecule, H3CCCCH3(X1A1g) The Journal of Chemical Physics. 113: 9637-9648. DOI: 10.1063/1.1290286 |
0.338 |
|
| 2000 |
Hahndorf I, Lee HY, Mebel AM, Lin SH, Lee YT, Kaiser RI. A combined crossed beam and ab initio investigation on the reaction of carbon species with C4H6 isomers. I. The 1,3-butadiene molecule, H2CCHCHCH2(X1A′) The Journal of Chemical Physics. 113: 9622-9636. DOI: 10.1063/1.1290285 |
0.357 |
|
| 2000 |
Mebel AM, Kaiser RI, Lee YT. Ab initio MO study of the global potential energy surface of C4H4 in triplet electronic state and the reactions of C(3P(j)) with C3H4 (allene and propyne) and C2(A3Π(u)) with C2H4(X1A(1g)/+) Journal of the American Chemical Society. 122: 1776-1788. DOI: 10.1021/Ja9935299 |
0.516 |
|
| 2000 |
Hwang DY, Mebel AM. Theoretical study of the reversible storage of H2 by BeS Journal of the American Chemical Society. 122: 11406-11410. DOI: 10.1021/ja000748h |
0.409 |
|
| 2000 |
Mebel AM, Hwang DY. Theoretical Study on the Reaction Mechanism of Nickel Atoms with Carbon Dioxide Journal of Physical Chemistry A. 104: 11622-11627. |
0.349 |
|
| 2000 |
Hwang DY, Mebel AM. Theoretical study on reforming of CO 2 catalyzed with Be Chemical Physics Letters. 325: 639-644. |
0.374 |
|
| 2000 |
Hwang DY, Mebel AM. Reaction mechanism of CO2 with Ca atom: A theoretical study Chemical Physics Letters. 331: 526-532. |
0.327 |
|
| 2000 |
Hwang DY, Mebel AM. Theoretical study on the reversible storage of H2 by BeO Chemical Physics Letters. 321: 95-100. |
0.394 |
|
| 2000 |
Zyubin AS, Mebel AM, Lin SH. Ab initio study of H photodetachment from the ethyl radical Chemical Physics Letters. 323: 441-447. |
0.448 |
|
| 1999 |
Kaiser RI, Mebel AM, Chang AHH, Lin SH, Lee YT. Crossed-beam reaction of carbon atoms with hydrocarbon molecules. V. Chemical dynamics of n-C4H3 formation from reaction of C(3Pj) with allene, H2CCCH2(X 1A1) The Journal of Chemical Physics. 110: 10330-10344. DOI: 10.1063/1.478966 |
0.413 |
|
| 1999 |
Mebel AM, Moskaleva LV, Lin MC. Ab initio MO calculations for the reactions of NH2 with H2, H2O, NH3 and CH4: Prediction of absolute rate constants and kinetic isotope effects Journal of Molecular Structure: Theochem. 461: 223-238. DOI: 10.1016/S0166-1280(98)00423-0 |
0.416 |
|
| 1999 |
Richardson SL, Francisco JS, Mebel A, Morokuma K. Can chlorine anion catalyze the reaction of HOC1 with HCI Computer Physics Communications. 724. DOI: 10.1016/S0010-4655(06)70127-8 |
0.424 |
|
| 1999 |
Mebel AM. Prediction of absolute rate constants for the reactions of NH2 with alkanes from ab initio G2M/TST calculations Journal of Physical Chemistry A. 103: 2088-2096. |
0.546 |
|
| 1999 |
Hwang DY, Mebel AM, Wang BC. Ab initio study of the addition of atomic carbon with water Chemical Physics. 244: 143-149. |
0.38 |
|
| 1998 |
Hwang DY, Mebel AM. Ab initio study on the reaction mechanism of ozone with the chlorine atom Journal of Chemical Physics. 109: 10847-10852. DOI: 10.1063/1.477781 |
0.38 |
|
| 1998 |
Mebel AM, Lin MC, Melius CF. Rate Constant of the HONO + HONO → H2O + NO + NO2Reaction from ab Initio MO and TST Calculations The Journal of Physical Chemistry A. 102: 1803-1807. DOI: 10.1021/Jp973449W |
0.301 |
|
| 1998 |
Mebel AM, Jackson WM, Chang AHH, Lin SH. Photodissociation dynamics of propyne and allene: A view from ab initio calculations of the C3H(n) (n = 1-4) species and the isomerization mechanism for C3H2 Journal of the American Chemical Society. 120: 5751-5763. DOI: 10.1021/ja9727169 |
0.486 |
|
| 1998 |
Mebel AM, Lin MC, Morokuma K. Ab initio MO and TST calculations for the rate constant of the HNO + NO2 → HONO + NO reaction International Journal of Chemical Kinetics. 30: 729-736. |
0.364 |
|
| 1998 |
Mebel AM, Lin MC, Melius CF. Rate constant of the HONO + HONO → H2O + NO + NO2 reaction from ab initio MO and TST calculations Journal of Physical Chemistry A. 102: 1803-1807. |
0.314 |
|
| 1997 |
Mebel AM, Lin SH. Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra Chemical Physics. 215: 329-341. |
0.301 |
|
| 1997 |
Mebel AM, Lin MC. Reactions of NOx with nitrogen hydrides International Reviews in Physical Chemistry. 16: 249-266. |
0.438 |
|
| 1997 |
Mebel AM, Lin SH, Chang CH. Theoretical study of vibronic spectra and photodissociation pathways of methane Journal of Chemical Physics. 106: 2612-2620. |
0.303 |
|
| 1997 |
Mebel AM, Lin MC, Yu T, Morokuma K. Theoretical study of potential energy surface and thermal rate constants for the C6H5 + H2 and C6H6 + H reactions Journal of Physical Chemistry A. 101: 3189-3196. |
0.452 |
|
| 1997 |
Richardson SL, Francisco JS, Mebel AM, Morokuma K. Can chlorine anion catalyze the reaction of HOCl with HCl? Chemical Physics Letters. 270: 395-398. |
0.324 |
|
| 1997 |
Mebel AM, Lin SH, Yang XM, Lee YT. Theoretical study on the mechanism of the dissociation of benzene. The C5H3 + CH3 product channel Journal of Physical Chemistry A. 101: 6781-6789. |
0.403 |
|
| 1997 |
Jackson WM, Mebel AM, Lin SH, Lee YT. Using ab initio MO calculations to understand the photodissociation dynamics of CH2CCH2 and CH2C2 Journal of Physical Chemistry A. 101: 6638-6646. |
0.371 |
|
| 1996 |
Mebel AM, Diau EWG, Lin MC, Morokuma K. Ab initio and RRKM calculations for multichannel rate constants of the C2H3 + O2 reaction Journal of the American Chemical Society. 118: 9759-9771. DOI: 10.1021/Ja961476E |
0.439 |
|
| 1996 |
Moskaleva LV, Mebel AM, Lin MC. The CH3+C5H5 reaction: A potential source of benene at high temperatures Symposium (International) On Combustion. 26: 521-526. DOI: 10.1016/S0082-0784(96)80255-4 |
0.537 |
|
| 1996 |
Mebel AM, Morokuma K. Theoretical study of the reaction of HCl with ClONO2 catalyzed by NO3-. "Attachment-detachment" mechanism for the anion-catalyzed neutral reactions Journal of Physical Chemistry. 100: 2985-2992. |
0.368 |
|
| 1996 |
Luna A, Mebel AM, Morokuma K. Density functional study of the global potential energy surfaces of the [H,C,N,O]+ system in doublet and quartet states Journal of Chemical Physics. 105: 3187-3205. |
0.392 |
|
| 1996 |
Mebel AM, Luna A, Lin MC, Morokuma K. A density functional study of the global potential energy surfaces of the [H,C,N,O] system in singlet and triplet states Journal of Chemical Physics. 105: 6439-6454. |
0.406 |
|
| 1996 |
Liu R, Morokuma K, Mebel AM, Lin MC. Ab initio study of the mechanism for the thermal decomposition of the phenoxy radical Journal of Physical Chemistry. 100: 9314-9322. |
0.373 |
|
| 1996 |
Mebel AM, Lin MC, Morokuma K, Melius CF. Theoretical study of reactions of N2O with NO and OH radicals International Journal of Chemical Kinetics. 28: 693-703. |
0.312 |
|
| 1996 |
Hsu CC, Mebel AM, Lin MC. Ab initio molecular orbital study of the HCO+O2 reaction: Direct versus indirect abstraction channels Journal of Chemical Physics. 105: 2346-2352. |
0.345 |
|
| 1995 |
Lin MC, Mebel AM. Ab initio molecular orbital study of the O + C6H5O reaction Journal of Physical Organic Chemistry. 8: 407-420. DOI: 10.1002/Poc.610080605 |
0.37 |
|
| 1995 |
Yu T, Mebel AM, Lin MC. Reaction of phenoxy radical with nitric oxide Journal of Physical Organic Chemistry. 8: 47-53. DOI: 10.1002/poc.610080110 |
0.364 |
|
| 1995 |
Mebel AM, Morokuma K, Isobe K. A theoretical study of rectangular tetrasulfur in a gas phase and in the tetranuclear [{Rh2(η5-C5Me5) 2(μ-CH2)2}2(μ-S 4)]2+ complex Inorganic Chemistry. 34: 1208-1211. |
0.321 |
|
| 1995 |
Mebel AM, Morokuma K, Lin MC. Ab initio molecular orbital study of potential energy surface for the reaction of C2H3 with H2 and related reactions The Journal of Chemical Physics. 103: 3440-3449. |
0.442 |
|
| 1995 |
Mebel AM, Morokuma K, Lin MC, Melius CF. Potential energy surface of the HNO + NO reaction. An ab initio molecular orbital study Journal of Physical Chemistry. 99: 1900-1908. |
0.387 |
|
| 1995 |
Mebel AM, Hsu CC, Lin MC, Morokuma K. An ab initio molecular orbital study of potential energy surface of the NH2+NO2 reaction The Journal of Chemical Physics. 103: 5640-5649. |
0.407 |
|
| 1994 |
Musaev DG, Mebel AM, Morokuma K. An ab initio molecular orbital study of the mechanism of the rhodium(I)-catalyzed olefin hydroboration reaction Journal of the American Chemical Society. 116: 10693-10702. DOI: 10.1021/Ja00102A039 |
0.325 |
|
| 1994 |
Mebel AM, Lin MC. Ab initio molecular orbital calculations of C6H5O2 isomers Journal of the American Chemical Society. 116: 9577-9584. |
0.352 |
|
| 1994 |
Musaev DG, Mebel AM, Morokuma K. An ab initio molecular orbital study of the mechanism of the rhodium(I)-catalyzed olefin hydroboration reaction Journal of the American Chemical Society. 116: 10693-10702. |
0.325 |
|
| 1994 |
Mebel AM, Morokuma K, Lin MC. Ab initio molecular orbital study of potential energy surface for the NH+NO2 reaction The Journal of Chemical Physics. 101: 3916-3922. |
0.37 |
|
| 1993 |
Mebel AM, Musaev DG, Morokuma K. Ab initio molecular orbital study of mechanisms of the reaction of diborane with hydrogen sulfide The Journal of Physical Chemistry. 97: 7543-7552. DOI: 10.1021/J100131A025 |
0.403 |
|
| 1993 |
Mebel AM, Musaev DG, Morokuma K. An alternative mechanism of BH2SH formation in the reaction of B2H6 with SH2: concerted elimination of BH3 and H2 from H2S ·B2H6. Ab initio MO study Chemical Physics Letters. 216: 313-318. DOI: 10.1016/0009-2614(93)90101-6 |
0.437 |
|
| 1993 |
Mebel AM, Musaev DG, Morokuma K. Ab initio molecular orbital study of mechanisms of the reaction of B2H6 with SH2 Journal of Physical Chemistry. 97: 7543-7552. |
0.434 |
|
| 1967 |
Mebel AM, Morokuma K, Lin MC. Ab initio molecular orbital study of potential energy surface for the reaction of C 2H 3 with H 2 and related reactions Physics of Fluids. 10: 3440-3449. |
0.445 |
|
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