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机译:Barrier potentials, molecular structure, force filed calculations and quantum chemical studies of some bipyridine di-carboxylic acids using the experimental and theoretical using (DFT, IVP) approach
Kakatiya Univ, Dept Phys, Warangal, Andhra Pradesh, India;
Natl Inst Technol, Dept Chem, Warangal, Andhra Pradesh, India;
Bipyridine di-carboxylic acids; FTIR; FT-Raman; DFT; HOMO-LUMO; NONLINEAR-OPTICAL PROPERTIES; SPECTROSCOPIC FT-IR; VIBRATIONAL ANALYSIS; AB-INITIO; METAL-COMPLEXES; NORMAL-MODES; RAMAN; FREQUENCIES; DOCKING; FIELD;