Items where Author is "Daru, János"

Varga, Bálint and Jaradat, Khaled T. and Polyák, Martin and Kele‐Jókuthy, János and Herczegh, Attila and Kotschy, András and Novák, Zoltán and Daru, János (2026) Temperature‐Controlled Diene Cyclization Toward Trifluoromethyl Biphenyl Derivatives: Synthetic and Computational Study. CHEMCATCHEM, 18. No. e71064. ISSN 1867-3880 (print); 1867-3899 (online)

Szabados, Ágnes and Daru, János and Gombás, András and Surján, Péter R. (2026) Is a Bit over Okay? – Overcomplete Sets of Localized Molecular Orbitals. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 22 (13). pp. 6622-6634. ISSN 1549-9618

Mészáros, Bence Balázs and Dudás, Ádám and Preszner, András and Sztanó, Gábor and Csesztregi, Bálint and Horváth, Csenge and Szabó, Pál and Daru, János and Soós, Tibor (2026) Leveraging the Proximity Effect: Direct Ester to Ether Deoxygenation Using Fiddler‐Crab‐Type Borane Catalysts. ANGEWANDTE CHEMIE INTERNATIONAL EDITION, 65 (33). No. e8105704. ISSN 1433-7851 (print); 1521-3773 (online)

Novák, Zoltán and Adamik, Réka and Csenki, János and Béke, Ferenc and Gavaldik, Regina and Varga, Bálint and Nagy, Bálint and May, Zoltán and Daru, János and Gonda, Zsombor and Tolnai, Gergely L. (2021) Revisiting the amine-catalysed cross-coupling. Nature Catalysis, 4. pp. 991-993. ISSN 2520-1158

Bakó, Imre and Daru, János and Pothoczki, Szilvia and Pusztai, László and Hermansson, Kersti (2019) Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis. JOURNAL OF MOLECULAR LIQUIDS, 293. No.-111579. ISSN 0167-7322

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

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