机译:
Vienna Univ Technol, Ctr Computat Mat Sci, A-1060 Vienna, Austria;
ELECTRONIC-STRUCTURE; PHYSICAL-PROPERTIES; MGCNI3; NI3GA; NI3AL;
机译:Role of functionalized graphene quantum dots in hydrogen evolution reaction: A density functional theory study
机译:Experimental Sensing and Density Functional Theory Study of an Ionic Liquid Mediated Carbon Nanotube Modified Carbon-paste Electrode for Electrochemical Detection of Metronidazole
机译:Rearrangement of aniline(H2O)n(n = 0-12)clusters upon photoionization and their excited state properties:Density functional theory and time-dependent density functional theory study
机译:基于模糊神经网络和D-S证据理论的信息融合方法的研究(The study of Information Fusion Based on Fuzzy Neural Network and D-S Theory)
机译:Carbon monoxide adsorption on molybdenum phosphides: Fourier transform infrared spectroscopic and density functional theory studies