Ab initio Calculations on the(ClAuPH3)2 Dimer with Relativistic Pseudopotential: Is the“Aurophilic Attraction” a Correlation Effect?
作者： Pekka Pyykkö , Yongfang Zhao
关键词: Ab initio quantum chemistry methods 、 Computational chemistry 、 Dimer 、 Pseudopotential 、 Materials science 、 Molecular physics 、 Attraction 、 General chemistry 、 Catalysis
摘要: … the glass temperature and prolonged extraction with CS, , we … the coupling constants compared with those of the known … ; the isotopomers 3a, with 77Se in the monoselenide bridges …
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