Items where Author is "Samu, Gyula "

Article

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

Rapi, Zsolt and Nemcsok, Tamás and Grün, Alajos and Pálvölgyi, Ádám and Samu, Gyula and Hessz, Dóra and Kubinyi, Miklós and Kállay, Mihály and Keglevich, György and Bakó, Péter (2018) Asymmetric cyclopropanation reactions catalyzed by carbohydrate-based crown ethers. TETRAHEDRON, 74 (27). pp. 3512-3526. ISSN 0040-4020

Samu, Gyula and Kállay, Mihály (2018) Efficient evaluation of the geometrical first derivatives of three-center Coulomb integrals. JOURNAL OF CHEMICAL PHYSICS, 149 (12). pp. 1-20. ISSN 0021-9606

R. Nagy, Péter and Samu, Gyula and Kállay, Mihály (2018) Optimization of the linear-scaling local natural orbital CCSD(T) method: improved algorithm and benchmark applications. JOURNAL OF CHEMICAL THEORY AND COMPUTATION (14). pp. 4193-4215. ISSN 1549-9618

Samu, Gyula and Kállay, Mihály (2017) Efficient evaluation of three-center Coulomb integrals. JOURNAL OF CHEMICAL PHYSICS, 146. p. 204101. ISSN 0021-9606

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

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