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Page 1
Atomistic modeling of thermodynamic equilibrium and polymorphism of iron.
J Phys Condens Matter. 2012 Jun 6;24(22):225404. doi: 10.1088/0953-8984/24/22/225404. Epub 2012 May 15.
J Phys Condens Matter. 2012.
PMID: 22585441
Quantum Mechanical Origins of the Iczkowski-Margrave Model of Chemical Potential.
Valone SM.
Valone SM.
J Chem Theory Comput. 2011 Jul 12;7(7):2253-61. doi: 10.1021/ct200283y. Epub 2011 Jun 3.
J Chem Theory Comput. 2011.
PMID: 26606494
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Atomistic Modeling of the Negative Thermal Expansion in δ- Plutonium Based on the Two-State Description.
Lee T, Baskes MI, Lawson AC, Chen SP, Valone SM.
Lee T, et al. Among authors: valone sm.
Materials (Basel). 2012 Jun 7;5(6):1040-1054. doi: 10.3390/ma5061040.
Materials (Basel). 2012.
PMID: 28817023
Free PMC article.
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Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.
Pilania G, Thijsse BJ, Hoagland RG, Lazić I, Valone SM, Liu XY.
Pilania G, et al. Among authors: valone sm.
Sci Rep. 2014 Mar 27;4:4485. doi: 10.1038/srep04485.
Sci Rep. 2014.
PMID: 24670940
Free PMC article.
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An empirical charge transfer potential with correct dissociation limits.
Valone SM, Atlas SR.
Valone SM, et al.
J Chem Phys. 2004 Apr 22;120(16):7262-73. doi: 10.1063/1.1676118.
J Chem Phys. 2004.
PMID: 15267635
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Energy dependence on fractional charge for strongly interacting subsystems.
Valone SM, Atlas SR.
Valone SM, et al.
Phys Rev Lett. 2006 Dec 22;97(25):256402. doi: 10.1103/PhysRevLett.97.256402. Epub 2006 Dec 19.
Phys Rev Lett. 2006.
PMID: 17280371
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