Search Results - "Wang, Yan Alexander"

Electronic properties and reactivity of Pt-doped carbon nanotubes by Tian, Wei Quan, Liu, Lei Vincent, Wang, Yan Alexander

“…The structures of the (5,5) single-walled carbon nanotube (SWCNT) segments with hemispheric carbon cages capped at the ends (SWCNT rod) and the Pt-doped SWCNT…”
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Adsorption of Small Gas Molecules onto Pt-Doped Single-Walled Carbon Nanotubes by Yeung, Charles See, Liu, Lei Vincent, Wang, Yan Alexander

“…The adsorption of small gaseous molecules to the metal center in Pt-doped (5,5) single-walled carbon nanotubes has been explored within density functional…”
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Nahuoic Acid A Produced by a Streptomyces sp. Isolated From a Marine Sediment Is a Selective SAM-Competitive Inhibitor of the Histone Methyltransferase SETD8 by Williams, David E, Dalisay, Doralyn S, Li, Fengling, Amphlett, James, Maneerat, Wisanu, Chavez, Miguel Angel Garcia, Wang, Yan Alexander, Matainaho, Teatulohi, Yu, Wenyu, Brown, Peter J, Arrowsmith, Cheryl H, Vedadi, Masoud, Andersen, Raymond J

“…The histone lysine monomethyltransferase SETD8 is an epigenetic regulator of cell cycle progression. Nahuoic acid A (1), a polyketide produced in culture by a…”
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High-Energy Nitramine Explosives: A Design Strategy from Linear to Cyclic to Caged Molecules by Yang, Junqing, Wang, Guixiang, Gong, Xuedong, Zhang, Jianguo, Wang, Yan Alexander

“…After carefully analyzing the Kamlet–Jacobs (K–J) equations and the structural traits of well-known explosives, hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX),…”
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Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes by Chen, Ya Kun, Liu, Lei Vincent, Tian, Wei Quan, Wang, Yan Alexander

“…We have studied single-walled carbon nanotubes (SWCNTs) doped with transition metal (TM) atoms with both exo and endo doping configurations. The electronic and…”
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Mechanisms of Staudinger Reactions within Density Functional Theory by Tian, Wei Quan, Wang, Yan Alexander

“…The Staudinger reactions of substituted phosphanes and azides have been investigated by using density functional theory. Four different initial reaction…”
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Dhilirolides E–N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity by Centko, Ryan M, Williams, David. E, Patrick, Brian O, Akhtar, Yasmin, Garcia Chavez, Miguel Angel, Wang, Yan Alexander, Isman, Murray B, de Silva, E. Dilip, Andersen, Raymond J

“…Extracts of laboratory cultures of the fungus Penicilium purpurogenum obtained from rotting fruit of the tree Averrhoa bilimbi growing in Sri Lanka have…”
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Ozonization at the Vacancy Defect Site of the Single-Walled Carbon Nanotube by Liu, Lei Vincent, Tian, Wei Quan, Wang, Yan Alexander

“…The ozonization at the vacancy defect site of the single-walled carbon nanotube has been studied by static quantum mechanics and atom-centered density matrix…”
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Transferable local pseudopotentials derived via inversion of the Kohn-Sham equations in a bulk environment by Zhou, Baojing, Alexander Wang, Yan, Carter, Emily A.

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Theoretical Calculations of Hyperfine Coupling Constants for Muoniated Butyl Radicals by Chen, Ya Kun, Fleming, Donald G, Wang, Yan Alexander

“…The hyperfine coupling constants (HFCCs) of all the butyl radicals that can be produced by muonium (Mu) addition to butene isomers (1- and 2-butene and…”
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Ab initio studies of vacancy-defected fullerenes and single-walled carbon nanotubes by Liu, Lei Vincent, Tian, Wei Quan, Wang, Yan Alexander

“…The structures, stabilities, and electronic properties of the single‐vacancy‐defected fullerenes, C60 and C70, and the single‐ and double‐vacancy‐defected…”
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Synthesis, Structure, and Computational Studies of Soluble Conjugated Multidentate Macrocycles by Gallant, Amanda J, Hui, Joseph K.-H, Zahariev, Federico E, Wang, Yan Alexander, MacLachlan, Mark J

“…Conjugated, shape-persistent macrocycles based on [3 + 3] Schiff-base condensation are of interest for supramolecular materials. In an effort to develop new…”
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Theoretical studies on structures, 13C NMR chemical shifts, aromaticity, and chemical reactivity of finite-length open-ended armchair single-walled carbon nanotubes by Liu, Lei Vincent, Tian, Wei Quan, Chen, Ya Kun, Zhang, Yu Adam, Wang, Yan Alexander

“…The geometries, chemical shifts, aromaticity, and reactivity of finite-length open-ended armchair single-walled carbon nanotubes (SWCNTs) have been studied…”
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Isotope Effects and the Temperature Dependences of the Hyperfine Coupling Constants of Muoniated sec-Butyl Radicals in Condensed Phases by Fleming, Donald G, Bridges, Michael D, Arseneau, Donald J, Chen, Ya Kun, Wang, Yan Alexander

“…Reported here is the first μSR study of the muon (A μ) and proton (A p) β-hyperfine coupling constants (Hfcc) of muoniated sec-butyl radicals, formed by…”
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Vibrational assignment and proton tunneling in pyridine–pyridinium complexes by Faramarz Tayyari, Sayyed, Jalil Mahdizadeh, Sayyed, Holakoei, Soheila, Alexander Wang, Yan

“…The pyridine–pyridinium cationic complexes [(Py 2H) +], with two different counterions (perchlorate and bromide), were prepared. The vibrational spectra of the…”
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Theoretical Studies of the Tautomers of Pyridinethiones by Zhang, Yu Adam, Monga, Vishakha, Orvig, Chris, Wang, Yan Alexander

“…Pyridinethiones are important ligand precursors of coordination complexes of therapeutic value. In aqueous solution, pyridinethiones can dimerize and…”
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Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes by Yeung, Charles See, Chen, Ya Kun, Wang, Yan Alexander

“…The rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall…”
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Theoretical investigation of the superoxide anion free radical elimination by quercetin–metal complexes by Luo, Dongmei, Wang, Yan Alexander

“…The elimination of superoxide anion free radical O 2 ·− by the complexes of quercetin and physiological metal ions has been investigated theoretically. It…”
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How Long Can A C–C σ‑Single Bond Be? by Yang, Jian-Xiong, Wang, Yan Alexander

“…In a specifically designed molecular structure, two sp2-hybridized carbon atoms align their unhybridized 2p z orbitals in the same orientation to form an…”
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Comprehensive Computational Study of Decamethyldizincocene Formation. 2. Reaction of KH/ZnCl 2 with Decamethylzincocene by Hepperle, Steven S., Wang, Yan Alexander

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