The electronic theory of organic chemistry. Oxford University Press, Toronto. 1949. p. 144.Dewar, M. J. S. (1949). The Electronic Theory of Organic Chemistry, chap. 15. Oxford: Clarendon Press.M. J. S. Dewar, Electronic Theory of Organic Chemistry, Clarendon Press, Oxford, 1949, pp. ...
S. The electronic theory of organic chemistry. Clarendon Press: Oxford, 1949.Dewar, MJS (1949) The electronic theory of organic chemistry. Oxford University Press, LondonM. J. S. Dewar, "The Electronic Theory of Organic Chemistry", Claren- don Press, Oxford, 1949; "The Molecular Orbital ...
Quantum theory in organic chemistry: Electronic structure and chemical reactivity of (π‐allyl)palladium complexes 来自 Wiley 喜欢 0 阅读量: 39 作者:H Fujimoto,T Suzuki 摘要: By taking the palladium-catalyzed additions of nucleophiles to the coordinated allyls, we discuss the effect of ancillary ...
ChemInform Abstract: APPLICATION OF THE LINNETT ELECTRONIC THEORY TO ORGANIC CHEMISTRY. 7. LINNETT T STRUCTURES FOR HOMOLYSIS TRANSITION STATES. THE BRIDGE... No abstract is available for this article. R.,A.,FIRESTONE - 《Cheminform》 被引量: 21发表: 1981年 Application of the Linnett electronic...
Electrical and structural properties of mono-, di-, tri- and tetrafluorothiophenes and their radical cations have been studied using density functional theory and B3LYP method with 6-311++G** basis set. The effects of the number and position of the substituent of fluorine atoms on the propertie...
Surface and bulk density functional theory calculations agree well with the experimental findings and are used to interpret the results, allowing us to obtain information on both surface and bulk electronic structure. We can thus exclude several previously proposed explanations for the observed ...
- 《Organic Electronics》 被引量: 24发表: 2013年 Isomerism effect on the photovoltaic properties of benzotrithiophene-based hole-transporting materials Engineering of inorganic鈥搊rganic lead halide perovskites for photovoltaic applications has experienced significant advances in recent years. However, ...
- 《Nuclear Instruments & Methods in Physics Research》 被引量: 21发表: 1997年 Electronic-Structure Theory of Organic Semiconductors: Charge-Transport Parameters and Metal/Organic Interfaces We focus this review on the theoretical description, at the density functional theory level, of two key ...
In organic solar cells, the charge-transfer (CT) electronic states that form at the interface between the electron-donor (D) and electron-acceptor (A) materials have a crucial role in exciton-dissociation, charge-separation and charge-recombination processes. Since the introduction of active layers...
Some chiral molecules can produce a giant spin polarization, a feature termed chirality-induced spin selectivity. The origin of this has been hotly debated. In this theory work, Zhao, Zhang and coauthors propose that the origin of the effect lies in charge trapping induced barrier modification, ...