Items where Author is "Hégely, Bence"

Article

Csóka, József and Hégely, Bence and Nagy, Péter R. and Kállay, Mihály (2024) Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces. THE JOURNAL OF CHEMICAL PHYSICS, 160 (12). ISSN 0021-9606

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

Kirschweng, Balázs and Tilinger, Mirkó Dániel and Hégely, Bence and Samu, Gyula and Tátraaljai, Dóra and Földes, Enikő and Pukánszky, Béla (2018) Melt stabilization of PE with natural antioxidants: Comparison of rutin and quercetin. EUROPEAN POLYMER JOURNAL, 103. pp. 228-237. ISSN 0014-3057

Hégely, Bence and Nagy, Péter R. and Kállay, Mihály (2018) Dual basis set approach for density functional and wave function embedding schemes. JOURNAL OF CHEMICAL THEORY AND COMPUTATION (14). pp. 4600-4615. ISSN 1549-9618

Kirschweng, Balázs and Sárközi, Márk and Hégely, Bence and Samu, Gyula and Hári, József and Tátraaljai, Dóra and Földes, Enikő and Kállay, Mihály and Pukánszky, Béla and Bence, Kristóf (2016) Melt stabilization of polyethylene with dihydromyricetin, a natural antioxidant. Polymer Degradation and Stability, 133. pp. 192-200. ISSN 0141-3910

Hégely, Bence and Nagy, Péter and Ferenczy, György and Kállay, Mihály (2016) Exact density functional and wave function embedding schemes based on orbital localization. JOURNAL OF CHEMICAL PHYSICS, 145. pp. 1-12. ISSN 0021-9606

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