In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis-TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile

Journal of Physical Chemistry B

Volumn 115, Issue 44, 2011, Pages 13026-13036

  Carlotto, Silvia ^a   Zerbetto, Mirco ^a   Shabestari, Maryam Hashemi ^b   Moretto, Alessandro ^a   Formaggio, Fernando ^a   Crisma, Marco ^a   Toniolo, Claudio ^a   Huber, Martina ^b   Polimeno, Antonino ^a  

^a UNIVERSITY OF PADOVA   (Italy)

^b LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; AMINO ACIDS; CARBOXYLIC ACIDS; HAMILTONIANS; MATHEMATICAL OPERATORS; MOLECULAR DYNAMICS; PEPTIDES; QUANTUM THEORY; SPIN DYNAMICS; STOCHASTIC SYSTEMS; THREE DIMENSIONAL;

AMINOISOBUTYRIC ACID; COMPUTATIONAL APPROACH; CONTINUOUS WAVES; DISSIPATIVE PROPERTIES; ELECTRON SPINS; EQUILIBRIUM DISTRIBUTIONS; ESR SPECTROSCOPY; FITTING PROCEDURE; IN-SILICO; LONG TERM DYNAMICS; MAGNETIC PARAMETERS; MOLECULAR CONFORMATION; MOLECULAR PROPERTIES; NUCLEAR SPINS; QUANTUM MECHANICAL; SOLVENT CONTRIBUTION; SPIN HAMILTONIAN; STOCHASTIC LIOUVILLE EQUATION; STOCHASTIC TREATMENT; TIME EVOLUTIONS; TRIPEPTIDE;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

EID: 80455132061     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2063645     Document Type: Article

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