ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "...
The electronic band structure of the semiconducting β and γ polytypes of InSe is calculated from first principles, with spin-orbit effects included. The two polytypes differ by the lateral stacking arrangement of four-atomic-plane building blocks, composed of Se-In-In-Se planes. These building ...
Photoelectron Spectroscopic Studies of the Chemisorption of Ethylene and Halo-Substituted Alkenes on the (100) and (111) Crystal Surfaces of Platinum and a... The chemisorption of ethylene and halogen-substituted alkenes has been studied by X-ray (Al K$\\alpha $) and ultraviolet (HeI and HeII...
So, it should carefully choose the configuration of solid solution structure. In the present work, we found that if the model has higher symmetry, the total energy per cell is smaller. In this configuration, the Y atoms gather together at the same plane as much as possible. Thus, it is ...
A co-anchoring strategy for the synthesis of polar bimodal polyethylene Chen Zou Quan Wang Changle Chen Nature Communications(2023) Nickel-catalysed hydrodimerization of unactivated terminal alkenes Li Cheng Jiandong Liu Hegui Gong Nature Synthesis(2023) ...
Electronic Circular Dichroism of Chiral Alkenes: B3LYP and CAM‐B3LYP Calculations Time-dependent density functional theory (TDDFT) calculations of electronic circular dichroism (ECD) are widely used to determine absolute configurations (... FE Jorge,SS Jorge,RN Suave - 《Chirality》 被引量: 13发表...
Rare-earth metal complexes of reduced π ligands are reviewed with an emphasis on their electronic structure and bonding interactions. This perspective discusses reduced carbocyclic and acyclic π ligands; in certain categories, when no example of a rare-earth metal complex is available, a closely re...
[37], zinc-activation methods can be used to discover scores of cobalt-phosphine combinations capable of functionalizing alkenes in an asymmetric fashion. It was found that an optimized catalyst consisting of (R, R)-Ph-BPE {Ph-BPE, 1,2- bis[(2R,5R)-2,5-diphenylphospholano] ethane} and...
Density functional theory study of structure, electronic and magnetic properties of non-metal (Group 13) doped stable [Math Processing Error]Rhn(n=2−8) clusters and their catalytic activities towards methanol activation Article 30 January 2018 References Schmid, G.: Large clusters and colloids...
At the same time, TPR/EXAFS provided information on the changes in local atomic structure that accompanied the oxidation state changes. The rate of carburization increased in the following order: unpromoted < Li < Na < K = Rb = Cs. After 10 h of treatment the samples containing K, Rb, ...