Items where Author is "Mester, Dávid"

Article

Mester, Dávid and Nagy, Péter R. and Kállay, Mihály (2024) Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 20 (17). pp. 7453-7468. ISSN 1549-9618

Hessz, Dóra and Kiss, Etelka and Bojtár, Márton and Kunfi, Attila and Mester, Dávid and Kállay, Mihály and Kubinyi, Miklós (2024) Photochemistry of a water-soluble coumarin-based photoswitch. DYES AND PIGMENTS, 221. No. 111821. ISSN 01437208

Kiss, Etelka and Mester, Dávid and Bojtár, Márton and Miskolczy, Zsombor and Biczók, László and Hessz, Dóra and Kállay, Mihály and Kubinyi, Miklós (2024) Supramolecular Control of the Photoisomerization of a Coumarin-Based Photoswitch. ACS Omega, 9 (52). pp. 51652-51664. ISSN 2470-1343

Kállay, Mihály and Nagy, Péter R. and Mester, Dávid and Rolik, Zoltán and Samu, Gyula and Csontos, József and Csóka, József and Szabó, P. Bernát and Gyevi-Nagy, László and Hégely, Bence and Ladjánszki, István and Szegedy, Lóránt and Ladóczki, Bence and Petrov, Klára and Farkas, Máté and Mezei, Pál D. and Ganyecz, Ádám (2020) The MRCC program system: Accurate quantum chemistry from water to proteins. JOURNAL OF CHEMICAL PHYSICS, 152 (7). 074107. ISSN 0021-9606

Mester, Dávid and Kállay, Mihály (2019) Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 15 (3). pp. 1690-1704. ISSN 1549-9618

Hessz, Dóra and Bojtár, Márton and Mester, Dávid and Szakács, Zoltán and Bitter, István and Kállay, Mihály (2018) Hydrogen bonding effects on the fluorescence properties of 4′-diethylamino-3-hydroxyflavone in water and water-acetone mixtures. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 203. pp. 96-105. ISSN 1386-1425

Mester, Dávid and R. Nagy, Péter and Kállay, Mihály (2018) Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments. JOURNAL OF CHEMICAL PHYSICS, 148. 094111. ISSN 0021-9606

Bojtár, Márton and Janzsó-Berend, Péter Zoltán and Mester, Dávid and Hessz, Dóra and Kállay, Mihály and Kubinyi, Miklós and Bitter, István (2018) An uracil-linked hydroxyflavone probe for the recognition of ATP. BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, 14. pp. 747-755. ISSN 1860-5397

Mester, Dávid and R. Nagy, Péter and Kállay, Mihály (2017) Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions. JOURNAL OF CHEMICAL PHYSICS, 146. ISSN 0021-9606

Hári, József and Polyák, Péter and Mester, Dávid and Mičušík, Matej and Omastová, Mária and Kállay, Mihály and Pukánszky, Béla (2016) Adsorption of an active molecule on the surface of halloysite for controlled release application: Interaction, orientation, consequences. Applied Clay Science, 132. pp. 167-174. ISSN 0169-1317

Mester, Dávid and Csontos, József and Kállay, Mihály (2015) Unconventional bond functions for quantum chemical calculations. THEORETICAL CHEMISTRY ACCOUNTS, 134 (6). P.74. ISSN 1432-881X

Mester, Dávid and Csontos, József and Kállay, Mihály (2015) Unconventional bond functions for quantum chemical calculations. THEORETICAL CHEMISTRY ACCOUNTS, 134 (6). No. 74. ISSN 1432-881X

Bagi, Péter and Juhász, Kinga and Timári, István and Kövér, Katalin E. and Mester, Dávid and Kubinyi, Miklós and Keglevich, György (2015) A study on the optical resolution of 1-isopropyl-3-methyl-3-phospholene 1-oxide and its use the synthesis of borane and platinum complexes. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 797. pp. 140-152. ISSN 0022-328X