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Special Issue on Nuclear Magnetic Resonance Spin–Spin Coupling Constants — Calculations and Measurements
Article

Review on DFT and ab initio Calculations of Scalar Coupling Constants

Instituto de Química Médica, C.S.I.C., Juan de la Cierva, 3, E-28006 Madrid, Spain
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Int. J. Mol. Sci. 2003, 4(3), 64-92; https://0-doi-org.brum.beds.ac.uk/10.3390/i4030064
Received: 24 May 2002 / Accepted: 17 July 2002 / Published: 25 February 2003
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. View Full-Text
Keywords: Coupling constants; supermolecules; hydrogen bonds; van der Waals complexes Coupling constants; supermolecules; hydrogen bonds; van der Waals complexes
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MDPI and ACS Style

Alkorta, I.; Elguero, J. Review on DFT and ab initio Calculations of Scalar Coupling Constants. Int. J. Mol. Sci. 2003, 4, 64-92. https://0-doi-org.brum.beds.ac.uk/10.3390/i4030064

AMA Style

Alkorta I, Elguero J. Review on DFT and ab initio Calculations of Scalar Coupling Constants. International Journal of Molecular Sciences. 2003; 4(3):64-92. https://0-doi-org.brum.beds.ac.uk/10.3390/i4030064

Chicago/Turabian Style

Alkorta, Ibon, and José Elguero. 2003. "Review on DFT and ab initio Calculations of Scalar Coupling Constants" International Journal of Molecular Sciences 4, no. 3: 64-92. https://0-doi-org.brum.beds.ac.uk/10.3390/i4030064

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