Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study

A. Goursot, T. Mineva, J. M. Vásquez-Pérez, P. Calaminici, A. M. Köster, D. R. Salahub
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c2cp43514d
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