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机译:合成、分子结构和增长,光谱的研究1,3 diglycinyl硫脲密度泛函方法
Presidency Coll, PG & Res Dept Phys, Madras 600005, Tamil Nadu, India;
St Peters Univ, Madras 600109, Tamil Nadu, India;
Arignar Anna Govt Arts Coll, PG & Res Dept Phys, Cheyyar 604407, India;
hydrogen bonds; thioureas; Hoover TechniqueDFFFourier transform infrared spectroscopyUltraviolet RaysCutoff frequencymolecular structuredensity distribution;
机译:Density functional study on the bonding and structure of first-row-transition-metal dicarbides.