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A benchmark study of Bond Dissociation Energies (BDEs) of various chemical bonds is carried out by Density Functional theory (DFT) method. The aim of the present research study was to… Click to show full abstract
A benchmark study of Bond Dissociation Energies (BDEs) of various chemical bonds is carried out by Density Functional theory (DFT) method. The aim of the present research study was to find out the ...
Keywords:
density functional;
bond;
study bond;
study;
bond dissociation;
benchmark study
Journal Title: Journal of Molecular Structure
Year Published: 2017
Link to full text (if available)
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Journal Title: Journal of Molecular Structure
Year Published: 2017
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!