1996 - Exploring Chemistry with Electronic Structure Methods (2nd Ed.) - J. Foresman & A. Frisch.pdf 2012-09-11上传 1996 - Exploring Chemistry with Electronic Structure Methods (2nd Ed.) - J. Foresman & A. Frisch 文档格式: .pdf
Abstract ( 37 ) PDF (7196KB) ( 47 ) Interfacial imperfections between the perovskite layer and the electron transport layer (ETL) in perovskite solar cells (PSCs) can lead to performance loss and negatively influence long-term operational stability. Here, we introduce an interface engineering ...
structure and coordination geom-etry of the Fe species and in situ high angle annular dark field scanning transmission electron microscopy combined with atomic resolved electron energy loss spectroscopy to localize these, identify their chem-ical configuration and monitor their dynamics during thermal ...
26. A “geometry-only” method for determining the anomeric configuration of nucleosides based on the H-1′ NMR signal of cyclic α and β 3′,5′-mononucleotides. J Am Chem Soc 99:4654–4660 Article PubMed CAS Google Scholar Robins MJ, MacCoss M, Wilson JS (1977) nucleic acid ...
Further, ambiguities in electron configurations and the breakdown of assigning a dominant configuration, owing to configuration mixing and dense spectra for the heaviest elements in the periodic table. For the short-lived transactinides, the nuclear stability becomes an important factor in chemical ...
whichmolecularorbitalsareformed? A)Onebondingmolecularorbitalonly B)Twobondingmolecularorbitals C)Onebondingmolecularorbitalandoneantibondingmolecularorbital D)Twoantibondingmolecularorbitals E)Threebondingmolecularorbitals 3.Thefollowingelectronconfigurationrepresents___. 1s2sp...
The stability of conjugated or aromatic systems is commonly attributed to the delocalization ofπelectrons, which is closely related to Ruedenberg’s “electron sharing”. Hückel had an elegant orbital-based explanation for the at first sight bizarre difference between aromatic and antiaromatic systems...
Multicon- figuration second-order perturbation theory approach to strong electron correlation in chemistry and pho- tochemistry. WIREs Comput Mol Sci 2012, 2:585- 603.Roca-Sanjuań , D.; Aquilante, F.; Lindh, R. Multiconfiguration Second-Order Perturbation Theory Approach to Strong Electron ...
IBChemistry
Meanwhile, the strong Li-O bonding weakens the competing Li-S bonding in LiPSs or Li2S adsorbed on CoO/CoP-Box surface, plus the hollow heterostructure provides abundant active sites and fast electron/Li+ transfer, so reducing Li2S nucleation/dissolution activation energy. As expected, LSBs with...