Review on DFT and ab initio Calculations of Scalar Coupling Constants
Abstract: The present review summarizes the information available on the ab initio calculations of spin-spin nuclear coupling constants through hydrogen bonds or in van der Waals complexes. It also reports the sources of experimental data on nhJXY scalar couplings.
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2003-02-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1422-0067/4/3/64/ |