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Saitta, A. Marco, Klein, Michael L. (1999) Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations. The Journal of Chemical Physics, 111 (20). 9434-9440 doi:10.1063/1.479855

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Reference TypeJournal (article/letter/editorial)
TitlePolyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations
JournalThe Journal of Chemical Physics
AuthorsSaitta, A. MarcoAuthor
Klein, Michael L.Author
Year1999 (November 22)Volume111
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.479855Search in ResearchGate
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Mindat Ref. ID2249095Long-form Identifiermindat:1:5:2249095:3
GUID0
Full ReferenceSaitta, A. Marco, Klein, Michael L. (1999) Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations. The Journal of Chemical Physics, 111 (20). 9434-9440 doi:10.1063/1.479855
Plain TextSaitta, A. Marco, Klein, Michael L. (1999) Polyethylene under tensil load: Strain energy storage and breaking of linear and knotted alkanes probed by first-principles molecular dynamics calculations. The Journal of Chemical Physics, 111 (20). 9434-9440 doi:10.1063/1.479855
In(1999, November) The Journal of Chemical Physics Vol. 111 (20) AIP Publishing

See Also

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Saitta, A. Marco, Klein, Michael L. (2001) First-Principles Molecular Dynamics Study of the Rupture Processes of a Bulklike Polyethylene Knot. The Journal of Physical Chemistry B, 105 (28). 6495-6499 doi:10.1021/jp004243p
Saitta, A. Marco, Klein, Michael L. (1999) Evolution of Fragments Formed at the Rupture of a Knotted Alkane Molecule. Journal Of The American Chemical Society, 121 (50) 11827-11830 doi:10.1021/ja991376j
DelloStritto, Mark, Micheletti, Cristian, Klein, Michael L. (2024) Molecular dynamics studies of knotted polymers. The Journal of Chemical Physics, 161 (24). doi:10.1063/5.0237773
Saitta, A. Marco, Klein, Michael L. (2000) First-Principles Study of Bond Rupture of Entangled Polymer Chains. The Journal of Physical Chemistry B, 104 (10). 2197-2200 doi:10.1021/jp994299n
Costa Cabral, B. J., Martins, J. L. (1999) Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics. The Journal of Chemical Physics, 111 (11). 5067-5072 doi:10.1063/1.479762
Jedrecy, Alexandre, Saitta, A. Marco, Pietrucci, Fabio (2023) Free energy calculations and unbiased molecular dynamics targeting the liquidā€“liquid transition in water no manā€™s land. The Journal of Chemical Physics, 158 (1) 14502 doi:10.1063/5.0120789
Saitta, A. Marco, Klein, Michael L. (2003) Proton tunneling in fatty acid/soap crystals?. The Journal of Chemical Physics, 118 (1). 1-3 doi:10.1063/1.1531583
Saitta, A. Marco, Klein, Michael L. (2002) Influence of a knot on the stretching-induced crystallization of a polymer. The Journal of Chemical Physics, 116 (13). 5333-5336 doi:10.1063/1.1465402
Ryckaert, Jeanā€Paul, Klein, Michael L. (1986) Translational and rotational disorder in solid nā€alkanes: Constant temperatureā€“constant pressure molecular dynamics calculations using infinitely long flexible chains. The Journal of Chemical Physics, 85 (3). 1613-1620 doi:10.1063/1.451203
Ryckaert, Jean-Paul, McDonald, Ian R., Klein, Michael L. (1989) Disorder in the pseudohexagonal rotator phase ofn-alkanes: molecular-dynamics calculations for tricosane. Molecular Physics, 67. 957-979 doi:10.1080/00268978900101561
Mugnai, Martina, Cardini, Gianni, Schettino, Vincenzo (2004) High pressure reactivity of propene by first principles molecular dynamics calculations. The Journal of Chemical Physics, 120 (11). 5327-5333 doi:10.1063/1.1647051
 
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