This chapter contains sections titled: Introduction NMR and EPR Spin Hamiltonians Calculation of Spin Hamiltonian Parameters Calculation of NMR Parameters in Paramagnetic Species Electron-Correlated Methods to Compute Magnetic Resonance Spectroscopic Parameters DFT Route to Magnetic Resonance Spectroscopic Parameters Vibrational Corrections to NMR and EPR Properties Environmental Effects Chemical Shift Anisotropy and Lineshape of Powder Patterns Case Studies Concluding Remarks References
Magnetic resonance spectroscopy: singlet and doublet electronic states / A., Pedone; Crescenzi, Orlando. - STAMPA. - (2012), pp. 207-248. [10.1002/9781118008720.ch4]
Magnetic resonance spectroscopy: singlet and doublet electronic states
CRESCENZI, ORLANDO
2012
Abstract
This chapter contains sections titled: Introduction NMR and EPR Spin Hamiltonians Calculation of Spin Hamiltonian Parameters Calculation of NMR Parameters in Paramagnetic Species Electron-Correlated Methods to Compute Magnetic Resonance Spectroscopic Parameters DFT Route to Magnetic Resonance Spectroscopic Parameters Vibrational Corrections to NMR and EPR Properties Environmental Effects Chemical Shift Anisotropy and Lineshape of Powder Patterns Case Studies Concluding Remarks ReferencesI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
