Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials

S. Nouranian; S. R. Gwaltney; M. A. Tschopp; Michael I Baskes; M. F. Horstemeyer

Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials

S. Nouranian
, S. R. Gwaltney
, M. A. Tschopp
, Michael I Baskes
, M. F. Horstemeyer

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Original language	English
Title of host publication	Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting
Subtitle of host publication	Global Challenges for Engineering a Sustainable Future
Publisher	Unknown Publisher
Number of pages	1
ISBN (Electronic)	9781634390354
State	Published - Jan 1 2013
Externally published	Yes
Event	Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future - Duration: Jan 1 2013 → …

Publication series

Name	Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future

Conference

Conference	Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future
Period	01/1/13 → …

Cite this

Nouranian, S., Gwaltney, S. R., Tschopp, M. A., Baskes, M. I., & Horstemeyer, M. F. (2013). Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials. In Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future (Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future). Unknown Publisher.

Nouranian, S. ; Gwaltney, S. R. ; Tschopp, M. A. et al. / Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials. Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. Unknown Publisher, 2013. (Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).

@inproceedings{c34c532686cd46aeb466deabd7d627bf,

title = "Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials",

author = "S. Nouranian and Gwaltney, \{S. R.\} and Tschopp, \{M. A.\} and Baskes, \{Michael I\} and Horstemeyer, \{M. F.\}",

year = "2013",

month = jan,

day = "1",

language = "English",

series = "Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future",

publisher = "Unknown Publisher",

booktitle = "Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting",

note = "Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future ; Conference date: 01-01-2013",

}

Nouranian, S, Gwaltney, SR, Tschopp, MA, Baskes, MI & Horstemeyer, MF 2013, Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials. in Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future, Unknown Publisher, Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future, 01/1/13.

Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials. / Nouranian, S.; Gwaltney, S. R.; Tschopp, M. A. et al.
Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. Unknown Publisher, 2013. (Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

TY - GEN

T1 - Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials

AU - Nouranian, S.

AU - Gwaltney, S. R.

AU - Tschopp, M. A.

AU - Baskes, Michael I

AU - Horstemeyer, M. F.

PY - 2013/1/1

Y1 - 2013/1/1

UR - https://www.scopus.com/pages/publications/84911482913

M3 - Conference contribution

T3 - Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future

BT - Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting

PB - Unknown Publisher

T2 - Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future

Y2 - 1 January 2013

ER -

Nouranian S, Gwaltney SR, Tschopp MA, Baskes MI, Horstemeyer MF. Simulations of bond rupture in normal alkanes under tensile molecular deformation using reactive potentials. In Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future. Unknown Publisher. 2013. (Computational Molecular Science and Engineering Forum 2013 - Core Programming Area at the 2013 AIChE Annual Meeting: Global Challenges for Engineering a Sustainable Future).