- 已选条件:
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× Perdew-burke-ernzerhof
作者:Repi, V.V.R.^1,2,3, Wicaksono, S.R.^1,2, Hidayanti, F.^2
关键词:Boron-doped graphene;Carbon based materials;...
会议举办机构:Computational Material Laboratory, Engineering Physics Department, Universitas Nasional, Jakarta
会议时间:2018
作者:Ramirez-De-Arellano, J.M.^1, Magana-Solis, L.F.^2
关键词:Ab initio calculations;Catalytic effects;...
会议举办机构:Tecnologico de Monterrey, Campus Ciudad de Mexico, Calle del Puente 222, Distrito Federal
会议时间:2017
作者:Rajpoot, Priyanka^1;Nayak, Vikas^1;Kumari, Meena^1;等
关键词:Electronic and magnetic properties;Electronic band structure;...
会议举办机构:School of Studies in Physics, Jiwaji University, Gwalior M.P.
会议时间:2017
作者:Masedi, M.C.^1,2, Ngoepe, P.E.^1, Sithole, H.M.^2
关键词:Computational studies;Generalized gradient approximations;...
会议举办机构:Materials Modelling Centre, University of Limpopo, School of Physical and Minerals Sciences, Private Bag x1106, Sovenga
会议时间:2017
5 Understanding electronic and optical properties of strontium titanate at both PBE and HSE06 levels [会议论文]
作者:Yang, Jianhui^1, Fan, Qiang^1
关键词:Absorption co-efficient;Complex dielectric functions;...
会议举办机构:School of Physics and Electronic Engineering, Leshan Normal University, Leshan
会议时间:2017
作者:Martinez, N.^1,2, Rodriguez Martinez, J.A.^1
关键词:Computational codes;Exchange and correlation;...
会议举办机构:Universidad Nacional de Colombia, Bogotá, Colombia^1
会议时间:2016