Ab initio simulation of a gadolinium-based magnetic resonance imaging contrast agent in aqueous solution

Journal of Chemical Physics

Volumn 126, Issue 18, 2007, Pages

  Pollet, Rodolphe ^a   Marx, Dominik ^b  

^a Centre d Etudes Nucléaires de Saclay   (France)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; GADOLINIUM; HYDROGEN BONDS; MAGNETIC RESONANCE IMAGING; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

CONTINUUM SOLVENT MODELS; FORCE FIELDS; HYDROXYPROPYL;

SOLUTIONS;

CONTRAST MEDIUM; GADOTERIDOL; HETEROCYCLIC COMPOUND; ORGANOMETALLIC COMPOUND; WATER;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; NUCLEAR MAGNETIC RESONANCE IMAGING; SOLUTION AND SOLUBILITY;

COMPUTER SIMULATION; CONTRAST MEDIA; HETEROCYCLIC COMPOUNDS; MAGNETIC RESONANCE IMAGING; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; SOLUTIONS; WATER;

EID: 34248360358     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2736369     Document Type: Article

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