Browsing by Subject "thermodynamics"
Now showing items 21-24 of 24
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Article
A structural, kinetic model of soft tissue thermomechanics
(2008)A structure-based kinetic model was developed to predict the thermomechanical response of collagenous soft tissues. The collagen fibril was represented as an ensemble of molecular arrays with cross-links connecting the ...
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Article
Supramolecular structures in nanocomposite multilayered films
(2006)We investigate the multilayered structures of poly(ethylene)oxide/ montmorillonite nanocomposite films made from solution. The shear orientation of a polymer-clay network in solution combined with simultaneous solvent ...
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Article
A theoretical study of chlorine atom and methyl radical addition to nitrogen bases: Why do Cl atoms form two-center - Three electron bonds whereas CH3 radicals form two-center - Two-electron bonds?
(1996)Ab initio molecular orbital calculations have been carried out on a series of adducts between chlorine atom and NH3, NMe3, NCl3, HN=CH2, and pyridine, and between methyl radical and HN=CH2 and pyridine. A two-center-three-electron ...
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Article
Two-Electron Transfer Pathways
(2015)The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through ...