Search Results - "Szieberth, Dénes"

Dibenzophosphapentaphenes: Exploiting P Chemistry for Gap Fine-Tuning and Coordination-Driven Assembly of Planar Polycyclic Aromatic Hydrocarbons by Bouit, Pierre-Antoine, Escande, Aude, Szűcs, Rózsa, Szieberth, Dénes, Lescop, Christophe, Nyulászi, László, Hissler, Muriel, Réau, Régis

“…A synthetic route to planar P-modified polycylic aromatic hydrocarbons (PAHs) is described. The presence of a reactive σ3,λ3-P moiety within the sp2-carbon…”
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Hydrolysis of Imidazole-2-ylidenes by Hollóczki, Oldamur, Terleczky, Péter, Szieberth, Dénes, Mourgas, Georgios, Gudat, Dietrich, Nyulászi, László

“…The direct reaction of an imidazole-2-ylidene in a predominantly aqueous environment [about 0.1 M solution in a H2O (>60%)/THF solvent system] was investigated…”
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2‑Aryl-1,3-Benzoxaphospholes as Unwilling Participants for Catalytic Suzuki–Miyaura CC Coupling Reactions by Grimm, Alexandra B, Wang, Kai, Rheingold, Arnold L, Moore, Curtis E, Szieberth, Dénes, Nyulászi, László, Protasiewicz, John D

“…Under conditions typically effective to achieve a catalytic aryl–aryl bond during palladium Suzuki–Miyaura (SM) coupling reactions of ArB­(OH)2 and ArBr,…”
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Anatase(001) 3 ML Nanotubes, The First TiO2 Nanotube With Negative Strain Energies: A DFT Prediction by Ferrari, Anna Maria, Szieberth, Dénes, Zicovich-Wilson, Claudio M, Demichelis, Raffaella

“…Nanotubes created from a three monolayer thick anatase(001) layer were investigated by DFT calculations in the 33−66 Å diameter range. Strain energies were…”
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Radon as a natural tracer for underwater cave exploration by Csondor, Katalin, Erőss, Anita, Horváth, Ákos, Szieberth, Dénes

“…The Molnár János cave is one of the largest hypogenic caves of the Buda Thermal Karst (Budapest, Hungary) and mainly characterized by water-filled passages…”
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Synthesis, Electronic Properties, and Reactivity of Phospholes and 1,1′‐Biphospholes Bearing 2‐ or 3‐Thienyl C‐Substituents by Fadhel, Omrane, Szieberth, Dénes, Deborde, Valérie, Lescop, Christophe, Nyulászi, László, Hissler, Muriel, Réau, Régis

“…PS, I love you! Novel mixed phosphole/thiophene π‐conjugated systems were synthesized and their electronic properties have been studied both experimentally by…”
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Ab initio modeling of TiO2 nanotubes by Szieberth, Dénes, Ferrari, Anna Maria, Noel, Yves, Ferrabone, Matteo

“…TiO(2) nanotubes constructed from a lepidocrocite-like TiO(2) layer were investigated with ab initio methods employing the periodic CRYSTAL code. The…”
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Mechanism of Dehydrogenative Condensation of (o-borylphenyl)hydrosilanes with Methanol by Könczöl, László, Kawachi, Atsushi, Szieberth, Dénes

“…The dehydrogenative condensation of hydrosilanes and alcohols is a facile way of protecting alcohols in chemical synthesis. Recently, Kawachi and co-workers…”
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Theoretical study of the hydrolysis of chlorosilane by Szabó, Gergő, Szieberth, Dénes, Nyulászi, László

“…The dependence of the mechanism of the SiCl bond hydrolysis on the number of the reacting water molecules was investigated in a comprehensive computational…”
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Neutral Pentacoordinate Group 14 Compounds with β-Diketonato ligands by Bombicz, Petra, Kovács, Ilona, Nyulászi, László, Szieberth, Dénes, Terleczky, Péter

“…A stable neutral pentacoordinate germanium compound substituted with three CF3 and a dibenzoylmethane ligand was synthesized. Single-crystal X-ray diffraction…”
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Structure and Other Molecular Properties of Actinide Trichlorides AnCl3 (An = Th–Cm) by Kovács, Attila, Konings, Rudy J. M, Varga, Zoltán, Szieberth, Dénes

“…The ground-state molecular properties of the trichlorides of light actinides (An = Th–Cm) have been predicted by state-of-the-art quantum chemical…”
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Study of the An–Cl bond contraction in actinide trichlorides by Kovács, Attila, Konings, Rudy J. M., Szieberth, Dénes, Krámos, Balázs

“…The variation of the An–Cl bond distance in ground-state actinide trichloride (AnCl 3 ) molecules has been studied by density functional theory calculations…”
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Theoretical study of the Pu and Am dicarbide molecules by Pogány, Peter, Kovács, Attila, Szieberth, Dénes, Konings, Rudy J. M.

“…The electronic structure and ground-state molecular properties of Pu and Am dicarbides were investigated in this study by relativistic multireference…”
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Synthesis and Structure of a 1,3-Diphosphacyclobutadienediide: An Aniomesolytic Fragmentation of a 1,3-Diphosphetane-2,4-diyl in Solution by Sebastian, Manuel, Nieger, Martin, Szieberth, Dénes, Nyulászi, László, Niecke, Edgar

“…Stepwise reduction of the 1,3‐diphosphetane‐2,4‐diyl 1 by alkali metals (Li, K) leads to the 1,3‐diphoshacyclobutadiendiide salts 2 by aniomesolytic…”
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Formation of Phosphaethyne Dimers: A Mechanistic Study by Höltzl, Tibor, Szieberth, Dénes, Nguyen, Minh Tho, Veszprémi, Tamás

“…High‐level ab initio (CCSD(T), CBS‐QB3 and CASSCF, CASPT2, MR‐ACPF, MR‐ACPF‐2) and density functional theory (B3LYP) calculations were carried out to study the…”
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CnH2nCl+ ion formation in electron impact MS conditions: a theoretical study by Benkő, Zoltán, Göröcs, Noémi, Könczöl, László, Nyulászi, László, Szieberth, Dénes, Balla, József

“…The mass spectral fragmentation of different 1-chloroalkanes (of the 1-chlorohexane-1-chlorooctadecane series) has been investigated, quantifying the relative…”
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Molecular level investigation of the dynamic structure model in molten and solid alkali glasses by Bakk, István P., Deme, István, Szieberth, Dénes, Nyulászi, László

“…The structure and bonding of alkali glasses has been investigated using a cluster approach and density functional calculations. The clusters used in the study…”
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Triazaphospholenium Tetrafluoroborate: A Phosphorus Analogue of a 1,2,3‐Triazole‐Derived Carbene by Papke, Martin, Dettling, Lea, Sklorz, Julian A. W., Szieberth, Dénes, Nyulászi, László, Müller, Christian

“…3H‐1,2,3,4‐Triazaphosphole derivatives can be selectively alkylated with Meerwein's reagent at the most nucleophilic nitrogen atom. According to the principle…”
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Stability of Resistance of Maize to Ear Rots ( Fusarium graminearum , F. verticillioides and Aspergillus flavus ) and Their Resistance to Toxin Contamination and Conclusions for Variety Registration by Mesterhazy, Akos, Szabo, Balazs, Szieberth, Denes, Tóth, Szabolcs, Nagy, Zoltan, Meszlenyi, Tamas, Herczig, Beata, Berenyi, Attila, Tóth, Beata

“…All major ear rots ( , , and ) and their toxins are present in maize of preharvest origin in Hungary. Resistance can be an important tool in reducing the…”
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Investigation of the Effect of Temperature on the Properties of No-Clean Reflow Soldering Fluxes by Gacs, JenŐ, Kocsis, László, Németh, Csaba, Mátyási, Judit, Szieberth, Dénes

“…With the decreasing size of microelectronics, corrosion-related reliability issues have become more abundant. The presence of no-clean soldering flux residues…”
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