155 Publications (Page 1 of 7)
2021
An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfacesTacey, Sean A⋅Chen, Benjamin WJ⋅Szilvási, Tibor and Mavrikakis, ManosComputational Materials Science, vol. 186, pp. 110010.
| Journal Article
2020
A bis (silylene)-stabilized diphosphorus compound and its reactivity as a monophosphorus anion transfer reagentWang, Yuwen⋅Szilvási, Tibor⋅Yao, Shenglai and Driess, MatthiasNature Chemistry, vol. 12, pp. 801–807.
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Binding of Organophosphorus Nerve Agents and Their Simulants to Metal SaltsGold, Jake⋅Gold, Jake⋅Szilvási, Tibor⋅Szilvási, Tibor⋅Abbott, Nicholas L⋅Abbott, Nicholas L.⋅Mavrikakis, Manos and Mavrikakis, ManosACS Applied Materials & Interfaces.
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Bis (silylene)-Stabilized Monovalent Nitrogen ComplexesYao, Shenglai⋅Szilvási, Tibor⋅Xiong, Yun⋅Lorent, Christian⋅Ruzicka, Ales and Driess, MatthiasAngewandte Chemie.
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Computational Chemistry-Based Evaluation of Metal Salts and Metal Oxides for Application in Mercury-Capture TechnologiesTacey, Sean A.⋅Tacey, Sean A⋅Szilvási, Tibor⋅Szilvási, Tibor⋅Schauer, James J⋅Schauer, James J.⋅Mavrikakis, Manos and Mavrikakis, ManosIndustrial & Engineering Chemistry Research, vol. 59, pp. 9015–9022.
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Demonstrating the Direct Relationship between Hydrogen Evolution Reaction and Catalyst Deactivation in Synthetic Fe NitrogenasesBenedek, Zsolt⋅Papp, Marcell⋅Olah, Julianna and Szilvási, TiborACS Catalysis.
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DMRG on top of plane-wave Kohn-Sham orbitals: case study of defected boron nitrideBarcza, Gergely⋅Ivády, Viktor⋅Szilvási, Tibor⋅Vörös, Márton⋅Veis, Libor⋅Gali, Ádám and Legeza, ÖrsarXiv preprint arXiv:2006.04557.
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Facile Access to Dative, Single and Double Silicon–Metal Bonds Through M–Cl Insertion Reactions of Base-stabilized Si (II) cationsInoue, Shigeyoshi⋅Frisch, Philipp and Szilvási, TiborChemistry–A European Journal.
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Homocoupling of CO and isocyanide mediated by a C, C′-bis (silylenyl)-substituted ortho-carboraneXiong, Yun⋅Yao, Shenglai⋅Szilvási, Tibor⋅Ruzicka, Ales and Driess, MatthiasChemical Communications, vol. 56, pp. 747–750.
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Influence of multifluorophenyloxy terminus on the mesomorphism of the alkoxy and alkyl cyanobiphenyl compounds in search of new ambient nematic liquid crystals and mixturesWang, Kunlun⋅Rahman, Mohammad S⋅Szilvási, Tibor⋅Gold, Jake I⋅Bao, Nanqi⋅Yu, Huaizhe⋅Abbott, Nicholas L⋅Mavrikakis, Manos and Twieg, Robert JLiquid Crystals, pp. 1–17.
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Isolation and Reactivity of Chlorotetryliumylidenes Using a Bidentate Bis (N-heterocyclic imine) LigandTschernuth, Florian S⋅Hanusch, Franziska⋅Szilvási, Tibor and Inoue, ShigeyoshiOrganometallics.
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New room temperature nematogens by cyano tail termination of alkoxy and alkylcyanobiphenyls and their anchoring behavior on metal salt-decorated surfaceWang, Kunlun⋅Szilvási, Tibor⋅Gold, Jake⋅Yu, Huaizhe⋅Bao, Nanqi⋅Rai, Prabin⋅Mavrikakis, Manos⋅Abbott, Nicholas L and Twieg, Robert JLiquid Crystals, vol. 47, pp. 540–556.
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Synthesis and properties of fluorine tail-terminated cyanobiphenyls and terphenyls for chemoresponsive liquid crystalsWang, Kunlun⋅Rai, Prabin⋅Fernando, Ashani⋅Szilvási, Tibor⋅Yu, Huaizhe⋅Abbott, Nicholas L⋅Mavrikakis, Manos and Twieg, Robert JLiquid Crystals, vol. 47, pp. 3–16.
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2019
Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces using Liquid Crystals: Dissociative Adsorption and DehydrogenationYu, Huaizhe⋅Yu, Huaizhe⋅Szilvási, Tibor⋅Szilvási, Tibor⋅Wang, Kunlun⋅Wang, Kunlun⋅Gold, Jake I⋅Gold, Jake I⋅Bao, Nanqi⋅Bao, Nanqi⋅Twieg, Robert J⋅Twieg, Robert J⋅Mavrikakis, Manos⋅Mavrikakis, Manos⋅Abbott, Nicholas L and Abbott, Nicholas LJournal of the American Chemical Society, vol. 141, pp. 16003–16013.
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Automated Microscopic Reaction Path Analysis of Methane Dehydrogenation on Ptsn CatalystsSzilvási, Tibor⋅Gerceker, Duygu⋅Chen, Benjamin Wei Jie and Mavrikakis, Manos.
| Conference Proceeding
CO2 Fixation and Catalytic Reduction by a Neutral Aluminum Double BondWeetman, Catherine⋅Bag, Prasenjit⋅Szilvási, Tibor⋅Jandl, Christian and Inoue, ShigeyoshiAngewandte Chemie, vol. 131, pp. 11077–11081.
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Direct Time-domain Observation of Attosecond Electron Dynamics in Solids using Attosecond Pulse SequencesChen, Cong⋅Tao, Zhensheng⋅Carr, Adra⋅Szilvási, Tibor⋅Keller, Mark⋅Mavrikakis, Manos⋅Kapteyn, Henry C and Murnane, Margaret M.
| Conference Proceeding
Exploring Hydrogen Evolution Accompanying Nitrogen Reduction on Biomimetic Nitrogenase Analogs: Can Fe–N x H y Intermediates Be Active Under Turnover Conditions?Benedek, Zsolt⋅Papp, Marcell⋅Oláh, Julianna and Szilvási, TiborInorganic chemistry, vol. 58, pp. 7969–7977.
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First-Principles Design of Nerve Agent Sensing Systems Using Chemoresponsive Liquid CrystalsGold, Jake⋅Szilvási, Tibor⋅Abbott, Nicholas L and Mavrikakis, Manos.
| Conference Proceeding
From As-Zincoarsasilene (LZn-As= SiL′) to Arsaethynolato (As≡C- O) and Arsaketenylido (O= C= As) Zinc ComplexesBallestero-Martı́nez, Ernesto⋅Szilvási, Tibor⋅Hadlington, Terrance J and Driess, MatthiasAngewandte Chemie International Edition, vol. 58, pp. 3382–3386.
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Functional Surfaces for Liquid Crystal-Based Detection of Chlorine GasMavrikakis, Emmanouil⋅Abbott, Nicholas⋅Szilvasi, Tibor and Bao, Nanqi
Heavier Carbonyl Olefination: The Sila-Wittig ReactionReiter, Dominik⋅Frisch, Philipp⋅Szilvási, Tibor and Inoue, ShigeyoshiJournal of the American Chemical Society, vol. 141, pp. 16991–16996.
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Identification of stable adsorption sites and diffusion paths on nanocluster surfaces: an automated scanning algorithmSzilvási, Tibor⋅Szilvási, Tibor⋅Chen, Benjamin W⋅Chen, Benjamin WJ⋅Mavrikakis, Manos and Mavrikakis, Manosnpj Computational Materials, vol. 5, pp. 1–8.
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Isolation of an N-Heterocyclic Carbene Complex of a BorasileneFranz, Daniel⋅Szilvási, Tibor⋅Pöthig, Alexander and Inoue, ShigeyoshiChemistry–A European Journal, vol. 25, pp. 11036–11041.
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Synthesis and properties of hydroxy tail-terminated cyanobiphenyl liquid crystalsWang, Kunlun⋅Jirka, Matthew⋅Rai, Prabin⋅Twieg, Robert J⋅Szilvási, Tibor⋅Yu, Huaizhe⋅Abbott, Nicholas L and Mavrikakis, ManosLiquid Crystals, vol. 46, pp. 397–407.
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