Computational tools for the interpretation of electron spin resonance spectra in solution

Molecular Physics

Volumn 111, Issue 18-19, 2013, Pages 2746-2756

  Zerbetto, Mirco ^a   Licari, Daniele ^b   Barone, Vincenzo ^b   Polimeno, Antonino ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

density functional theory; electron spin resonance; integrated computational approach; molecular dynamics; stochastic modelling

Indexed keywords

COMPUTATIONAL APPROACH; COMPUTATIONAL INTERPRETATIONS; DYNAMICAL PROPERTIES; ELECTRON SPIN RESONANCE MEASUREMENTS; ELECTRON SPIN RESONANCE SPECTRA; LABORATORY EQUIPMENTS; MULTI-SCALE APPROACHES; RIGID AND FLEXIBLE MOLECULES; COMPUTATIONAL TOOLS;

COMPUTER SOFTWARE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; LABORATORIES; MOLECULAR DYNAMICS; MOLECULES; PARAMAGNETIC RESONANCE; RELAXATION PROCESSES; STOCHASTIC MODELS;

COMPUTATIONAL METHODS; PARAMAGNETIC RESONANCE;

EID: 84885592957     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.800602     Document Type: Article

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