155 Publications (Page 1 of 7)
2021
An automated cluster surface scanning method for exploring reaction paths on metal-cluster surfaces
Tacey, Sean A⋅Chen, Benjamin WJ⋅Szilvási, Tibor and Mavrikakis, Manos
Computational Materials Science, vol. 186, pp. 110010. | Journal Article
2020
A bis (silylene)-stabilized diphosphorus compound and its reactivity as a monophosphorus anion transfer reagent
Wang, Yuwen⋅Szilvási, Tibor⋅Yao, Shenglai and Driess, Matthias
Nature Chemistry, vol. 12, pp. 801–807. | Journal Article
 
Binding of Organophosphorus Nerve Agents and Their Simulants to Metal Salts
Gold, Jake⋅Gold, Jake⋅Szilvási, Tibor⋅Szilvási, Tibor⋅Abbott, Nicholas L⋅Abbott, Nicholas L.⋅Mavrikakis, Manos and Mavrikakis, Manos
ACS Applied Materials & Interfaces. | Journal Article
 
Bis (silylene)-Stabilized Monovalent Nitrogen Complexes
Yao, Shenglai⋅Szilvási, Tibor⋅Xiong, Yun⋅Lorent, Christian⋅Ruzicka, Ales and Driess, Matthias
Angewandte Chemie. | Journal Article
 
Computational Chemistry-Based Evaluation of Metal Salts and Metal Oxides for Application in Mercury-Capture Technologies
Tacey, Sean A.⋅Tacey, Sean A⋅Szilvási, Tibor⋅Szilvási, Tibor⋅Schauer, James J⋅Schauer, James J.⋅Mavrikakis, Manos and Mavrikakis, Manos
Industrial & Engineering Chemistry Research, vol. 59, pp. 9015–9022. | Journal Article
 
Demonstrating the Direct Relationship between Hydrogen Evolution Reaction and Catalyst Deactivation in Synthetic Fe Nitrogenases
Benedek, Zsolt⋅Papp, Marcell⋅Olah, Julianna and Szilvási, Tibor
ACS Catalysis. | Journal Article
 
DMRG on top of plane-wave Kohn-Sham orbitals: case study of defected boron nitride
Barcza, Gergely⋅Ivády, Viktor⋅Szilvási, Tibor⋅Vörös, Márton⋅Veis, Libor⋅Gali, Ádám and Legeza, Örs
arXiv preprint arXiv:2006.04557. | Journal Article
 
Facile Access to Dative, Single and Double Silicon–Metal Bonds Through M–Cl Insertion Reactions of Base-stabilized Si (II) cations
Inoue, Shigeyoshi⋅Frisch, Philipp and Szilvási, Tibor
Chemistry–A European Journal. | Journal Article
 
Homocoupling of CO and isocyanide mediated by a C, C′-bis (silylenyl)-substituted ortho-carborane
Xiong, Yun⋅Yao, Shenglai⋅Szilvási, Tibor⋅Ruzicka, Ales and Driess, Matthias
Chemical Communications, vol. 56, pp. 747–750. | Journal Article
 
Influence of multifluorophenyloxy terminus on the mesomorphism of the alkoxy and alkyl cyanobiphenyl compounds in search of new ambient nematic liquid crystals and mixtures
Wang, Kunlun⋅Rahman, Mohammad S⋅Szilvási, Tibor⋅Gold, Jake I⋅Bao, Nanqi⋅Yu, Huaizhe⋅Abbott, Nicholas L⋅Mavrikakis, Manos and Twieg, Robert J
Liquid Crystals, pp. 1–17. | Journal Article
 
Isolation and Reactivity of Chlorotetryliumylidenes Using a Bidentate Bis (N-heterocyclic imine) Ligand
Tschernuth, Florian S⋅Hanusch, Franziska⋅Szilvási, Tibor and Inoue, Shigeyoshi
Organometallics. | Journal Article
 
New room temperature nematogens by cyano tail termination of alkoxy and alkylcyanobiphenyls and their anchoring behavior on metal salt-decorated surface
Wang, Kunlun⋅Szilvási, Tibor⋅Gold, Jake⋅Yu, Huaizhe⋅Bao, Nanqi⋅Rai, Prabin⋅Mavrikakis, Manos⋅Abbott, Nicholas L and Twieg, Robert J
Liquid Crystals, vol. 47, pp. 540–556. | Journal Article
 
Synthesis and properties of fluorine tail-terminated cyanobiphenyls and terphenyls for chemoresponsive liquid crystals
Wang, Kunlun⋅Rai, Prabin⋅Fernando, Ashani⋅Szilvási, Tibor⋅Yu, Huaizhe⋅Abbott, Nicholas L⋅Mavrikakis, Manos and Twieg, Robert J
Liquid Crystals, vol. 47, pp. 3–16. | Journal Article
2019
Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces using Liquid Crystals: Dissociative Adsorption and Dehydrogenation
Yu, 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 L
Journal of the American Chemical Society, vol. 141, pp. 16003–16013. | Journal Article
 
Automated Microscopic Reaction Path Analysis of Methane Dehydrogenation on Ptsn Catalysts
Szilvási, Tibor⋅Gerceker, Duygu⋅Chen, Benjamin Wei Jie and Mavrikakis, Manos. | Conference Proceeding
 
CO2 Fixation and Catalytic Reduction by a Neutral Aluminum Double Bond
Weetman, Catherine⋅Bag, Prasenjit⋅Szilvási, Tibor⋅Jandl, Christian and Inoue, Shigeyoshi
Angewandte Chemie, vol. 131, pp. 11077–11081. | Journal Article
 
Direct Time-domain Observation of Attosecond Electron Dynamics in Solids using Attosecond Pulse Sequences
Chen, 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, Tibor
Inorganic chemistry, vol. 58, pp. 7969–7977. | Journal Article
 
First-Principles Design of Nerve Agent Sensing Systems Using Chemoresponsive Liquid Crystals
Gold, 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 Complexes
Ballestero-Martı́nez, Ernesto⋅Szilvási, Tibor⋅Hadlington, Terrance J and Driess, Matthias
Angewandte Chemie International Edition, vol. 58, pp. 3382–3386. | Journal Article
 
Functional Surfaces for Liquid Crystal-Based Detection of Chlorine Gas
Mavrikakis, Emmanouil⋅Abbott, Nicholas⋅Szilvasi, Tibor and Bao, Nanqi
 
Heavier Carbonyl Olefination: The Sila-Wittig Reaction
Reiter, Dominik⋅Frisch, Philipp⋅Szilvási, Tibor and Inoue, Shigeyoshi
Journal of the American Chemical Society, vol. 141, pp. 16991–16996. | Journal Article
 
Identification of stable adsorption sites and diffusion paths on nanocluster surfaces: an automated scanning algorithm
Szilvási, Tibor⋅Szilvási, Tibor⋅Chen, Benjamin W⋅Chen, Benjamin WJ⋅Mavrikakis, Manos and Mavrikakis, Manos
npj Computational Materials, vol. 5, pp. 1–8. | Journal Article
 
Isolation of an N-Heterocyclic Carbene Complex of a Borasilene
Franz, Daniel⋅Szilvási, Tibor⋅Pöthig, Alexander and Inoue, Shigeyoshi
Chemistry–A European Journal, vol. 25, pp. 11036–11041. | Journal Article
 
Synthesis and properties of hydroxy tail-terminated cyanobiphenyl liquid crystals
Wang, Kunlun⋅Jirka, Matthew⋅Rai, Prabin⋅Twieg, Robert J⋅Szilvási, Tibor⋅Yu, Huaizhe⋅Abbott, Nicholas L and Mavrikakis, Manos
Liquid Crystals, vol. 46, pp. 397–407. | Journal Article