TY - BOOK AU - Kaupp,Martin AU - Bühl,Michael AU - Malkin,Vladimir G. ED - John Wiley & Sons. TI - Calculation of NMR and EPR parameters: theory and applications SN - 3527307796 AV - QD96.N8 C35 2004 U1 - 543/.66 22 PY - 2004/// CY - Weinheim PB - Wiley-VCH KW - Nuclear magnetic resonance spectroscopy KW - Electron paramagnetic resonance spectroscopy KW - Quantum chemistry KW - Physical Chemistry KW - Electronic books N1 - Includes bibliographical references and index; Calculation of NMR and EPR Parameters; Contents; Foreword; List of Contributors; Part A Introductory Chapters; Part B NMR Parameters, Methodological Aspects; Part C NMR Parameters, Applications; Part D EPR Parameters, Methodological Aspects; Part E EPR Parameters, Applications; Index N2 - This is the first book to present the necessary quantum chemical methods for both resonance types in one handy volume, emphasizing the crucial interrelation between NMR and EPR parameters from a computational and theoretical point of view. Here, readers are given a broad overview of all the pertinent topics, such as basic theory, methodic considerations, benchmark results and applications for both spectroscopy methods in such fields as biochemistry, bioinorganic chemistry as well as with different substance classes, including fullerenes, zeolites and transition metal compounds. The chapters ha UR - https://eresourcesptsl.ukm.remotexs.co/user/login?url=http://onlinelibrary.wiley.com/book/10.1002/3527601678 ER -