Items where Author is "Kállay, Mihály"

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Item Type | No Grouping
Number of items: 18.

Bagi, Péter and Czugler, Mátyás and Hessz, Dóra and Kállay, Mihály and Kubinyi, Miklós and Szilvási, Tibor and Pongrácz, Péter and Kollár, László and Timári, István and Kövér, E. Katalin and Drahos, László and Fogassy, Elemér and Keglevich, György (2016) Synthesis, Characterization and Application of Platinum(II) Complexes Incorporating Racemic and Optically Active 1-Phenyl-1,2,3,6-Tetrahydrophosphinine Ligand. HETEROATOM CHEMISTRY, 27 (2). pp. 91-101. ISSN 1042-7163

R. Nagy, Péter and Samu, Gyula and Kállay, Mihály (2016) An integral-direct linear-scaling second-order Møller–Plesset approach. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12. pp. 1-18. ISSN 1549-9618

Szakács, Zoltán and Bojtár, Márton and Drahos, László and Hessz, Dóra and Kállay, Mihály and Vidóczy, Tamás and Bitter, István and Kubinyi, Miklós (2016) The kinetics and mechanism of photooxygenation of 4’-diethylamino-3-hydroxyflavone. PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES, 15. pp. 219-227. ISSN 1474-905X

Bagi, Péter and Fekete, András and Kállay, Mihály and Hessz, Dóra and Kubinyi, Miklós and Holczbauer, Tamás and Czugler, Mátyás and Fogassy, Elemér and Keglevich, György (2015) A Case-Study on the Resolution of the 1-i-Butyl-3-methyl-3-phospholene 1-Oxide via Diastereomeric Complex Formation Using TADDOL Derivatives and via Diastereomeric Coordination Complexes Formed from the Calcium Salts of O,O’-Diaroyl-(2R,3R)-tartaric Acids. HETEROATOM CHEMISTRY, 26 (1). pp. 79-90. ISSN 1042-7163

Cserép, Balázs Gergely and Demeter, Orsolya and Bätzner, Effi and Kállay, Mihály and Wagenknecht, Hans-Achim and Kele, Péter (2015) Synthesis and evaluation of nicotinic acid derived tetrazines for bioorthogonal labeling. SYNTHESIS-STUTTGART, 47 (18). pp. 2738-2744. ISSN 0039-7881

Ganyecz, Ádám and Csontos, József and Nagy, Balázs and Kállay, Mihály (2015) Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts. JOURNAL OF PHYSICAL CHEMISTRY A, 119. pp. 1164-1176. ISSN 1089-5639

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

Herner, András and Girona, G. E. and Nikić, I. and Kállay, Mihály and Lemke, E. A. and Kele, Péter (2014) New Generation of Bioorthogonally Applicable Fluorogenic Dyes with Visible Excitations and Large Stokes Shifts. BIOCONJUGATE CHEMISTRY, 25 (7). pp. 1370-1374. ISSN 1043-1802

Bagi, Péter and Fekete, András and Kállay, Mihály and Hessz, Dóra and Kubinyi, Miklós and Holczbauer, Tamás and Czugler, Mátyás and Fogassy, Elemér and Keglevich, György (2014) Resolution of 1-n-Butyl-3-Methyl-3-Phospholene 1-Oxide with TADDOL Derivatives and Calcium Salts of O,O’-Dibenzoyl-(2R,3R)- or O,O’-di-p-Toluoyl-(2R,3R)-tartaric Acid. CHIRALITY: THE PHARMACOLOGICAL, BIOLOGICAL, AND CHEMICAL CONSEQUENCES OF MOLECULAR ASYMMETRY, 26 (3). pp. 174-182. ISSN 0899-0042

Bagi, Péter and Kállay, Mihály and Hessz, Dóra and Kubinyi, Miklós and Holczbauer, Tamás and Czugler, Mátyás and Keglevich, György (2014) Resolution of 1-n-propoxy-3-methyl-3-phospholene 1-oxide by diastereomeric complex formation using TADDOL derivatives and calcium salts of O,O '-dibenzoyl-(2R,3R)- or O,O '-di-p-toluoyl-(2R,3R)-tartaric acid. TETRAHEDRON-ASYMMETRY, 25 (4). pp. 318-326. ISSN 0957-4166, ESSN: 1362-511X

Hessz, Dóra and Hégely, Bence and Kállay, Mihály and Vidóczy, Tamás and Kubinyi, Miklós (2014) Solvation and Protonation of Coumarin 102 in Aqueous Media - a Fluorescence Spectroscopic and Theoretical Study. JOURNAL OF PHYSICAL CHEMISTRY A, 118. pp. 5238-5247. ISSN 1089-5639

Pham, Truong Son and Gönczi, Katalin and Kardos, György and Süle, Krisztina and Hegedűs, László and Kállay, Mihály and Kubinyi, Miklós and Szabó, Pál and Petneházy, Imre and Tőke, László and Jászay, Zsuzsa (2013) Cinchona based squaramide catalysed enantioselective Michael addition of a-nitrophosphonates to aryl acrylates: enantioselective synthesis of quaternary a-aminophosphonates. Tetrahedron: Asymmetry, 24 (24). pp. 1605-1614. ISSN 0957-4166

Rolik, Zoltán and Szegedy, Lóránt and Ladjanszki, István and Ladoczki, Bence and Kállay, Mihály (2013) An efficient linear-scaling CCSD(T) method based on local natural orbitals. JOURNAL OF CHEMICAL PHYSICS, 139 (9). 094105/1-17. ISSN 0021-9606

Kállay, Mihály and Baranyai, Péter and Csontos, József and Das, Sanghamitra and Kubinyi, Miklós and Pál, Krisztina (2012) Nagy pontosságú modellek az elméleti kémiában és spektroszkópiai alkalmazások = High-accuracy models in theoretical chemistry and their applications to spectroscopy. Project Report. OTKA.

Varga, R. Balázs and Kállay, Mihály and Hegyi, Krisztina and Béni, Szabolcs and Kele, Péter (2012) A non-fluorinated monobenzocyclooctyne for rapid cooper-free click reactions. CHEMISTRY-A EUROPEAN JOURNAL, 18 (3). pp. 822-828. ISSN 0947-6539

Szalay, Péter and Kállay, Mihály (2009) Magasabb gerjesztések figyelembevétele molekulák és gyökök kvantumkémiai leírása során: módszerfejlesztés és alkalmazás = The role of higher excitations in the quantum chemical description of molecules and radicals: method development and applications. Project Report. OTKA.

Surján, Péter and Kállay, Mihály and Kohalmi, Dóra and Rolik, Zoltán and Szabados, Ágnes and Tóth, Gábor (2009) Modellek a kvantumkémiában = Models in Quantum Chemistry. Project Report. OTKA.

Kállay, Mihály (2009) Nagy pontosságú számítások az elméleti kémiában: módszerfejlesztés és alkalmazás = High-accuracy calculations in theoretical chemistry: method development and application. Project Report. OTKA.

This list was generated on Wed Sep 28 10:36:10 2016 CEST.