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Ab initio Effective Core Potentials (ECP) Calculation on Group ⅢA Trimethyl Compounds

Ab initio Effective Core Potentials (ECP) Calculation on Group ⅢA Trimethyl Compounds
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摘要 There have been numerous studies of the photoelectron spectra (PES) on group ⅢA trimethyl compound MMe<sub>3</sub>(M=B, Al, Ga and In). However, no reports on the theoretical Koopmans’ IPs have ever been seen for MMe<sub>3</sub> except BMe<sub>3</sub>. In literature the assignment of the spectral band and the study on the electronic structure of M ’Me<sub>3</sub>
出处 《Chinese Science Bulletin》 SCIE EI CAS 1993年第11期908-911,共4页
关键词 GROUP ⅢA trimethyl compound ab INITIO effective core POTENTIAL (ECP) CALCULATION Koopmans ionization POTENTIAL (IP). group ⅢA trimethyl compound, ab initio effective core potential (ECP) calculation, Koopmans ionization potential (IP).
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