Items where Author is "Stirling, András"

Article

Kása, Eszter and Petri, Ivett and Szabados, Márton and Ágoston, Áron and Sápi, András and Kónya, Zoltán and Kukovecz, Ákos and Stirling, András and Sipos, Pál Miklós and Kutus, Bence (2024) Utilization of desilication products as efficient adsorbents for the removal of basic fuchsine. JOURNAL OF HAZARDOUS MATERIALS, 480. ISSN 0304-3894

Kiss, Dóra Judit and Oláh, Julianna and Tóth, Gergely and Varga, Máté and Stirling, András and K. Menyhárd, Dóra and Ferenczy, György G. (2022) The Structure-Derived Mechanism of Box H/ACA Pseudouridine Synthase Offers a Plausible Paradigm for Programmable RNA Editing. ACS CATALYSIS, 12. pp. 2756-2769. ISSN 2155-5435

Tóth, Balázs László and Béke, Ferenc and Egyed, Orsolya and Bényei, Attila and Stirling, András and Novák, Zoltán (2019) Synthesis of Multifunctional Aryl(trifloxyalkenyl)iodonium Triflate Salts. ACS OMEGA. ISSN 2470-1343 (In Press)

Stenczel, Károly and Sinai, Ádám and Novák, Zoltán and Stirling, András (2018) Computational mechanistic study of copper-catalysed tandem arylation-cyclization reaction of alkynes and diaryliodonium salts. Beilstein Journal of Organic Chemistry. ISSN 1860-5397

Mészáros, Ádám and Székely, Anna and Stirling, András and Novák, Zoltán (2018) Design of Trifluoroalkenyliodonium salts for Hypervalency Aided Alkenylation-Cyclization Strategy: Metal-free Construction of Aziridine Ring. ANGEWANDTE CHEMIE INTERNATIONAL EDITION, 57 (22). pp. 6643-6647. ISSN 1433-7851

Kovács, Szabolcs and Tóth, Balázs and Borsik, Gábor and Bihari, Tamás and May, Nóra and Stirling, András and Novák, Zoltán (2017) Direct ortho-Trifluoroethylation of Aromatic Ureas by Palladium Catalyzed C-H activation: A Missing Piece of Aromatic Substitutions. Direct ortho-Trifluoroethylation of Aromatic Ureas by Palladium Catalyzed C-H activation: A Missing Piece of Aromatic Substitutions. pp. 1-14.

Rapi, Zsolt and Grün, Alajos and Keglevich, György and Stirling, András and Bakó, Péter (2016) Synthesis of a-D-galactose-based azacrown ethers and their application as enantioselective catalysts in Michael reactions. NEW JOURNAL OF CHEMISTRY, 40 (9). pp. 7856-7865. ISSN 1144-0546

Bihari, Tamás and Babinszki, Bence and Kovács, Szabolcs and Novák, Zoltán and Stirling, András (2016) Understanding and Exploitation of Neighboring Heteroatom Effect for the Mild N-arylation of Heterocycles with Diaryliodonium Salts under Aqueous Conditions: A Theoretical and Experimental Mechanistic Study. JOURNAL OF ORGANIC CHEMISTRY, 81 (13). pp. 5417-5422. ISSN 0022-3263

Rozgonyi, Tamás and Stirling, András (2015) DFT Study of Oxidation States on Pyrite Surface Sites. JOURNAL OF PHYSICAL CHEMISTRY C - NANOMATERIALS AND INTERFACES, 119 (14). pp. 7704-7710. ISSN 1932-7447

Tolnai, Gergely László and Székely, A. and Makó, Z. and Gáti, T. and Daru, János and Bihari, Tamás and Stirling, András and Novák, Zoltán (2015) Efficient direct 2,2,2-trifluoroethylation of indoles via C-H functionalization. CHEMICAL COMMUNICATIONS, 51 (21). pp. 4488-4491. ISSN 1359-7345

Stirling, András and Rozgonyi, Tamás and Krack, Matthias and Bernasconi, Marco (2015) Pyrite in contact with supercritical water: the desolation of steam. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17. pp. 17375-17379. ISSN 1463-9076

Stirling, András and Nair, Nisanth N. and Lledós, Agustí and Ujaque, Gregori (2014) Challenges in modelling homogeneous catalysis : new answers from ab initio molecular dynamics to the controversy over the Wacker process. CHEMICAL SOCIETY REVIEWS, 43 (14). pp. 4940-4952. ISSN 0306-0012

Daru, János and Stirling, András (2014) Divided Saddle Theory: a new idea for rate constant calculation. Journal of Chemical Theory and Computation, 10 (3). pp. 1121-1127. ISSN 1549-9618

Daru, János and Benda, Zsuzsanna and Póti, Ádám and Novák, Zoltán and Stirling, András (2014) Mechanistic study of silver-mediated furan formation by oxidative coupling. Chemistry, A European Journal. ISSN 0947-6539, ESSN: 1521-3765

Tuvi-Arad, Inbal and Rozgonyi, Tamás and Stirling, András (2013) Effect of temperature and substitution on cope rearrangement : A symmetry perspective. JOURNAL OF PHYSICAL CHEMISTRY A, 117. pp. 12726-12733. ISSN 1089-5639

Bakó, Imre and Stirling, András and Mayer, István (2013) Extracting Chemical Information from Plane Wave Calculations by a 3D "Fuzzy Atoms" Analysis. Chemical Physics Letters. ISSN 0009-2614

Szabó, Fruzsina and Darú, János and Simkó, Dániel and Nagy, Tibor Zs. and Stirling, András and Novák, Zoltán (2013) Mild Palladium-Catalyzed Oxidative Direct ortho-C H Acylation of Anilides under Aqueous Conditions. Advanced Synthesis and Catalysis, 355. pp. 685-691. ISSN 1615-4150

Rokob, Tibor András and Bakó, Imre and Stirling, András and Hamza, Andrea and Pápai, Imre (2013) Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field? Journal of the American Chemical Society, 135 (11). pp. 4425-4437. ISSN 0002-7863 (print), 1520-5126 (online)

Stirling, András (2013) SO(2) hydrolysis: ab initio MD study of the formation of bisulfite ion. JOURNAL OF COMPUTER CHEMISTRY JAPAN, 12 (1). pp. 38-42. ISSN 1347-1767

Stirling, András and Sumegi, L. and Laszlo-Hedvig, Z. and Mink, János (2007) Design and application of a novel ir emission liquid cell. OXIDATION COMMUNICATIONS, 30 (1). pp. 215-220. ISSN 0209-4541

Monograph

Stirling, András (2012) Reakciómechanizmus felderítés ab initio MD módszerekkel = Reaction mechanisms from ab initio MD methods. Project Report. OTKA.