tailieunhanh - Calculation of NMR and EPR Parameters Theory and Applications

It is difficult to overemphasize the importance of magnetic resonance techniques in chemistry. Experimental spectra can usually be successfully interpreted empirically, but more difficult cases require a prediction based on the electronic structure. In the last 25 years the calculation of magnetic resonance parameters from first principles has become a powerful research tool that can significantly enhance the utility of magnetic resonance techniques when empirical interpretations are insufficient. This can be crucial even for NMR spectra of organic molecules, where the interpretations are the simplest and where empirical material has been collected for half a century | Martin Kaupp Michael Buhl Vladimir G. Malkin Calculation of NMR and EPR Parameters Calculation ofNMR and EPR Parameters. Theory and Applications. Edited by Martin Kaupp Michael Buhl Vladimir G. Malkin Copyright 2004 WILEY-VCH Verlag GmbH Co. KGaA Weinheim IsBN 3-527-30779-6 Further Titles of Interest J. Gasteiger Ed. Handbook of Chemoinformatics From Data to Knowledge 4 Volumes 2003 ISBN 3-527-30680-3 Ch. Schorn NMR Spectroscopy Data Acquisition 2nd Edition 2004 ISBN 3-527-31070-3 F. Gerson W. Huber Electron Spin Resonance Spectroscopy of Organic Radicals 2003 ISBN 3-527-30275-1 O. Zerbe Ed. BioNMR in Drug Research 2003 ISBN 3-527-30465-7 P. Carloni F. Alber Eds. Quantum Medicinal Chemistry 2003 ISBN 3-527-30456-8 D. M. Grant R. K. Harris Eds. Encyclopedia of Nuclear Magnetic Resonance 9 Volumes 2002 ISBN 0-470-84784-0 Martin Kaupp Michael Buhl Vladimir G. Malkin Calculation of NMR and EPR Parameters Theory and Applications WILEY-VCH WILEY-VCH Verlag GmbH Co. .