Highly Selective SAM-Nanowire Hybrid NO2Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals
نویسندگان
چکیده
منابع مشابه
Frontier Hybrid Orbitals . II . Applications
In this paper, the frontier hybrid orbitals (FBO's) of a series of octahedral ML5 fragments are used to discuss the electronic structure and the chemical bond of these fragments and the molecules built of these ML5 fragments. The bond orbitals which are chosen as the linear combination of the frontier hybrid orbitals . of fragments are calculated and explain the electronic structure and propert...
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where Xis called the nucleophile, RjR2R3ZY the substrate and Ythe leaving group. The substrate structure, the nature of the nucleophile, of the reaction center Z and of the leaving group, and the nature of the solvent are important factors of the overall rate of reaction. Now, experimentsare available for studying solvated ions in the gas-phase, it is possible to explore the transition state in...
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ژورنال
عنوان ژورنال: Advanced Functional Materials
سال: 2013
ISSN: 1616-301X
DOI: 10.1002/adfm.201301478