1999•Journal of Molecular Structure THEOCHEMRequires access

Structure and conformational stability of XC(O)OY (X, Y=F and Cl) molecules – ab initio and DFT studies

P. Kolandaivel, Sundaram Arulmozhiraja

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Key concepts: Ab initio, Basis set, Density functional theory, Molecule, Conformational isomerism, Ab initio quantum chemistry methods, Computational chemistry, Bond length

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Structure and conformational stability of XC(O)OY (X, Y=F and Cl) molecules – ab initio and DFT studies — Research Paper | ScholarLens