Determination of Molecular Structure in Terms of Potential Energy Functions from Gas-Phase Electron Diffraction Supplemented by Other Experimental and Computational Data
作者： Victor P. Spiridonov , Natalja Vogt , Jürgen Vogt
关键词: Bond length 、 Potential energy 、 Computational chemistry 、 Chemistry 、 Molecule 、 Function (mathematics) 、 Electron diffraction 、 Structure (category theory) 、 Gas phase 、 Thermodynamics
摘要: Different approaches of equilibrium structure determinations by the gas-phase electron diffraction (ED) method or its combination with other relevant techniques have been reviewed. Some problems and limitations these are discussed. Special attention is paid to various potential energy function models. types bond lengths obtained optimization ED data their experimental computational spectroscopic compared in tables. Relations between different vibrational corrections Structure determined methods given for comparison.
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