relativisticDFT相关论文
Theoretical investigation of U(Ⅰ)arene complexes:is the elusive monovalent oxidation state accessibl
Commonly accepted uranium oxidation states in molecular complexes are+Ⅲ to+Ⅵ.Recently,this has been extended experimen......
Heterobimetallic uranium-nickel/palladium/platinum complexes of phosphinoaryl oxide ligands:a theore
Heterobimetallic uranium-transition metal(U-TM)complexes have abundant active centers(two metals and several ancillary l......
Infrared vibrational spectra, electronic structures and formation reactions of polypyrrolic mono- an
The development of synthetic techniques has enabled synthesis and characterization of a series of mono and bis-uranyl co......
Theoretical probe of low-valent uranium and transuranium complexes of a flexible small-cavity macroc
The flexible small-cavity macrocycle,trans-calix[2]benzene[2]pyrrolide(H2L),has been found experimentally to complex......
Engineering of Actinide Complexes of Nitrogen-Coordinating Ligand Combined Relativistic DFT and Expe
Because of their complicated electronic structures, significant relativistic effects, high coordination number and d......
