Use of locally dense basis sets for nuclear magnetic resonance shielding calculations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference36 articles.
1. Electric and magnetic properties of the aromatic sixty-carbon cage
2. Magnetic properties of C60 and C70
3. NATO ASI Seri;Chesnut,1993
4. Partial energy and chemical shielding surfaces in the water (H2O)2 and hydrogen fluoride (HF)2 van der Waals complexes
5. Locally dense basis sets for chemical shift calculations
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