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Gyula Samu
Gyula Samu
在 vbk.bme.hu 的电子邮件经过验证
标题
引用次数
引用次数
年份
The MRCC program system: Accurate quantum chemistry from water to proteins
M Kállay, PR Nagy, D Mester, Z Rolik, G Samu, J Csontos, J Csóka, ...
The Journal of chemical physics 152 (7), 2020
3342020
MRCC, a quantum chemical program suite
M Kállay, Z Rolik, J Csontos, I Ladjánszki, L Szegedy, B Ladóczki, ...
URL: http://www. mrcc. hu, accessed August 26th 56, 2016
312*2016
Optimization of the linear-scaling local natural orbital CCSD (T) method: Improved algorithm and benchmark applications
PR Nagy, G Samu, M Kállay
Journal of Chemical Theory and Computation 14 (8), 4193-4215, 2018
1222018
An integral-direct linear-scaling second-order Møller–Plesset approach
PR Nagy, G Samu, M Kállay
Journal of chemical theory and computation 12 (10), 4897-4914, 2016
882016
Melt stabilization of polyethylene with dihydromyricetin, a natural antioxidant
B Kirschweng, K Bencze, M Sárközi, B Hégely, G Samu, J Hári, ...
Polymer Degradation and Stability 133, 192-200, 2016
722016
Melt stabilization of PE with natural antioxidants: Comparison of rutin and quercetin
B Kirschweng, DM Tilinger, B Hégely, G Samu, D Tátraaljai, E Földes, ...
European Polymer Journal 103, 228-237, 2018
332018
Asymmetric cyclopropanation reactions catalyzed by carbohydrate-based crown ethers
Z Rapi, T Nemcsok, A Grün, Á Pálvölgyi, G Samu, D Hessz, M Kubinyi, ...
Tetrahedron 74 (27), 3512-3526, 2018
262018
Efficient evaluation of three-center Coulomb integrals
G Samu, M Kállay
The Journal of Chemical Physics 146 (20), 2017
202017
Efficient evaluation of the geometrical first derivatives of three-center Coulomb integrals
G Samu, M Kállay
The Journal of Chemical Physics 149 (12), 2018
42018
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