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Inside Cover, Volume 114, Issue 22
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24798
Subject(s) - hyperfine structure , zeeman effect , physics , cover (algebra) , theoretical physics , unitary state , quantum mechanics , condensed matter physics , magnetic field , mechanical engineering , engineering , law , political science
The spin Hamiltonians (SHs), as a central tenet in magnetic resonance spectroscopies, provide a succinct description of various interactions such as electronic and nuclear Zeeman terms, electron exchange interaction, zero‐field splitting, spin‐spin, spin‐orbit, nuclear quadrupole, and hyperfine couplings. Using the quantum mechanical concepts such as effective Hamiltonians, perturbation theory, and unitary transformations, the tutorial by Mohammad Mostafanejad on page 1513 (DOI: 10.1002/qua.24717 ) addresses the basics of the SH formalism. Through the analysis of the electron magnetic resonance spectrum, the figure shows that how the spin density of an unpaired electron in Y 2 @C 79 N reflects invaluable information about its electronic and molecular environment.