An interacting quantum atoms (iqa) and relative energy gradient (reg) analysis of the anomeric effect

HIGHLIGHTS

  • who: Danish Khan and colleagues from the Faculty of Physics, University of Vienna, Kolingasse, Vienna, Austria have published the article: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect, in the Journal: Molecules 2022, 27, 5003. of /2022/
  • what: Based on the case studies of dimethoxymethane and 2-fluorotetrahydropyran the authors show that the anomeric effect is electrostatic in nature rather than governed by hyperconjugation. To deal with the many energy contributions arising in the comprehensive analysis of the current study, the recently developed Relative Energy Gradient (REG) method . . .

     

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