화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Simulation of Impulsive Vibrational Spectroscopy
Hernandez FJ, Bonafe FP, Aradi B, Frauenheim T, Sanchez CG
Journal of Physical Chemistry A, 123(10), 2065, 2019
2 Water splitting and the band edge positions of TiO2
Deak P, Kullgren J, Aradi B, Frauenheim T, Kavan L
Electrochimica Acta, 199, 27, 2016
3 The Self-Consistent Charge Density Functional Tight Binding Method Applied to Liquid Water and the Hydrated Excess Proton: Benchmark Simulations
Maupin CM, Aradi B, Voth GA
Journal of Physical Chemistry B, 114(20), 6922, 2010
4 Self-interaction and strong correlation in DFTB
Hourahine B, Sanna S, Aradi B, Kohler C, Niehaus T, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5671, 2007
5 DFTB+, a sparse matrix-based implementation of the DFTB method
Aradi B, Hourahine B, Frauenheim T
Journal of Physical Chemistry A, 111(26), 5678, 2007
6 Impurity-controlled dopant activation - The role of hydrogen in p-type doping of SiC
Aradi B, Gali A, Deak P, Son NT, Janzen E
Materials Science Forum, 389-3, 561, 2002
7 A shallow acceptor complex in 4H-SiC: AlSiNCAlSi
Deak P, Aradi B, Gali A, Gerstmann U, Choyke WJ
Materials Science Forum, 433-4, 523, 2002
8 Theory of hydrogen in silicon carbide
Deak P, Gali A, Aradi B
Materials Science Forum, 353-356, 421, 2001
9 Boron centers in 4H-SiC
Aradi B, Gali A, Deak P, Rauls E, Frauenheim T, Son NT
Materials Science Forum, 353-356, 455, 2001
10 Vacancies and their complexes with H in SiC
Deak P, Gali A, Aradi B, Son NT, Janzen E, Choyke WJ
Materials Science Forum, 338-3, 817, 2000