NMR chemical shift as analytical derivative of the Helmholtz free energy

Journal of Chemical Physics

Volumn 138, Issue 5, 2013, Pages

  Van Den Heuvel, Willem ^a   Soncini, Alessandro ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL DERIVATIVE; APPLIED MAGNETIC FIELDS; CLOSED SHELLS; DEGENERATE STATE; ELECTRON SYSTEMS; ENDO-FULLERENES; EXPLICIT FORMULA; LANTHANIDE ION; NMR CHEMICAL SHIFTS; NUCLEAR MAGNETIC MOMENT; NUCLEAR MAGNETIC SHIELDINGS; PARAMAGNETIC SHIFTS; SECOND DERIVATIVES; SHIELDING TENSORS; SPIN HAMILTONIAN; SPIN ORBITS; SUM OVER STATE; TEMPERATURE DEPENDENT;

ELECTRONIC STRUCTURE; FREE ENERGY; GROUND STATE; MAGNETIC MOMENTS; MAGNETIC RESONANCE; MAGNETIC SHIELDING; MOLECULES; PARAMAGNETISM; RARE EARTH ELEMENTS;

TENSORS;

FULLERENE C60; FULLERENE DERIVATIVE; LANTHANIDE;

ARTICLE; CHEMISTRY; ELECTRON; MAGNETIC FIELD; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; STANDARD; TEMPERATURE;

ELECTRONS; FULLERENES; LANTHANOID SERIES ELEMENTS; MAGNETIC FIELDS; MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; REFERENCE STANDARDS; TEMPERATURE;

MLCS; MLOWN;

EID: 84873691838     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4789398     Document Type: Article

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