Conformation and dynamics of poly(N-isopropyl acrylamide) trimers in water: A molecular dynamics and metadynamics simulation study

Journal of Physical Chemistry B

Volumn 115, Issue 19, 2011, Pages 5827-5839

  Autieri, Emmanuel ^b   Chiessi, Ester ^a   Lonardi, Alice ^a   Paradossi, Gaio ^a   Sega, Marcello ^b  

^a UNIVERSITY OF ROME TOR VERGATA   (Italy)

^b UNIVERSITY OF TRENTO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMIDES; BEHAVIORAL RESEARCH; DYNAMICS; HYDROGEN; HYDROPHILICITY; MOLECULAR DYNAMICS; OLIGOMERS; STEREOCHEMISTRY;

AMIDE GROUPS; AMIDE SIDE CHAIN; AQUEOUS SOLUTIONS; ATACTIC; CONFORMATIONAL ENTROPY; DYNAMIC PROPERTY; EXPERIMENTAL DATA; HYDROGEN BONDINGS; INTRAMOLECULAR HYDROGEN BOND; ISOTACTICS; METADYNAMICS; MOLECULAR DYNAMICS SIMULATIONS; N-ISOPROPYLACRYLAMIDES; SAMPLING SIMULATION; SIMULATION APPROACH; SIMULATION RESULT; SIMULATION STUDIES; SOLUTION BEHAVIOR; SOLUTION PROPERTY; STRUCTURAL CHARACTERISTICS; STRUCTURAL REARRANGEMENT; SYNDIOTACTICS; SYSTEM PROPERTY; TACTICITIES; TEMPERATURE INCREASE; TORSIONAL DYNAMICS;

HYDROGEN BONDS;

EID: 79956072541     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2020929     Document Type: Article

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