crystal structuretight-binding theoryelectronic structureB 4CUsing a recently developed tight-binding theory with universal matrix elements, the electronic structure of 伪-rhombohedral boron and B 4C are calculated. The universal matrix elements, which correspond to matrix elements between Wannier functions...
Abstract Although an increasing volume of x-ray photoemission spectroscopic(XPS) data has been accumulated on boron and boron-rich compounds because of their unusual properties, including a unique three-center, two-electron bonding configuration, their common nonmetallic nature has been overlooked. Typica...
Wang.The electronic structure of the impurity boron-vacancy complex in transition metal ... C Wang,L Chen,K Li,... - 《Journal of Applied Physics》 被引量: 9发表: 1992年 "Boron + vacancy" complexes on the hydrogenated diamond surface С(100)-(2×1) The paper presents the results of...
Thermochemical properties and electronic structure of boron oxides B nOm (n = 5-10, m = 1-2) and their anions5个回答 正在翻译,请等待...2013-05-23 12:21:38 回答:匿名 热化学循环数值属性和电子结构硼的氮化物B NOM(n=5-10,M=1-2)及其阴离子 2013-05-23 12:23:18 回答:匿名正在翻译,请...
ChemInform Abstract: INORGANIC AROMATIC RINGS: THE Π ELECTRONIC STRUCTURE OF BORON SULFIDE (B8S16)theory, structureNo abstract is available for this article.doi:10.1002/chin.198215002GIMARC, B. MTRINAJSTIC, NWILEY‐VCH Verlag GmbHChemischer Informationsdienst...
The history of prediction of boron sheet structures is introduced. Existing with a mixture of triangle lattice and hexagonal lattice, the structures of boron sheets have peculiar characteristics of polymorphism and show significant dependence on the substrate. Due to the unique structure and complex B...
Electronic structure of boron-nitride nanotubes (BNNTs) can be tuned in a wide range through covalent functionalization, as experimentally and theoretically evidenced. Various functional groups were covalently attached to BNNTs. The ultraviolet-visible absorption spectra indicate that the electronic structure...
Isomers and Conformers of H(NH2BH2)nH Oligomers: Understanding the Geometries and Electronic Structure of Boron−Nitrogen−Hydrogen Compounds as Po... Gutowski, Isomers and conformers of H(NH2BH2)nH oligomers: understanding the geometries and electronic structure of boron-nitrogen-hydrogen ...
The accuracy and efficiency of electronic-structure methods to understand, predict and design the properties of materials has driven a new paradigm in research. Simulations can greatly accelerate the identification, characterization and optimization of materials, with this acceleration driven by continuous ...
Theoretical or Mathematical/ boron compoundshydrogen bondsisoelectronic seriesmolecular configurationsmolecular electronic statesorbital calculationsorganic compoundsperturbation theory/ electronic structurearachno-borane B4H10butterfly-shaped arachno-boraneThe electronic structure of the butterfly-shaped arachno -borane ...