Reversible hydrogen bond network dynamics: Molecular dynamics simulations of calix[4]arene-catenanes

Journal of Physical Chemistry B

Volumn 115, Issue 20, 2011, Pages 6445-6454

  Schlesier, Thomas ^a   Metzroth, Thorsten ^a   Janshoff, Andreas ^b   Gauss, Jürgen ^a   Diezemann, Gregor ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIMERS; DYNAMICS; HYDROGEN; MOLECULAR DYNAMICS;

CALIX[4]ARENES; CLOSED STRUCTURES; COMPACT STRUCTURES; EXTENDED STRUCTURES; EXTERNAL FORCE; HYDROGEN BOND NETWORKS; INTERMEDIATE STRUCTURES; LOADING RATE; MD SIMULATION; MECHANICAL FORCE; MECHANICAL LOCKING; MOLECULAR DYNAMICS SIMULATIONS; OPEN STRUCTURE; PULLING VELOCITY; REBINDING DYNAMICS; SINGLE MOLECULE FORCE SPECTROSCOPY; TRIPLE WELL;

HYDROGEN BONDS;

EID: 79958137333     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2025522     Document Type: Article

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