Errors in DFT Integration Grids and Their Potential Impact on Chemical Shift Calculations
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Citation : Wilson, P.B., Grootveld, M. and Kamerlin, S.C.L. (2019) Errors in DFT Integration Grids and Their Potential Impact on Chemical Shift Calculations. Magnetic resonance in chemistry:
Research Institute : Leicester Institute for Pharmaceutical Innovation - From Molecules to Practice (LIPI)
Peer Reviewed : Yes
- Leicester School of Pharmacy