First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr(2)(WO(4))(PO(4))(2)

por Weck, Philippe F., Kim, Eunja, Gordon, Margaret E., Greathouse, Jeffery A., Dingreville, Rémi, Bryan, Charles R.
Publicado 2018

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

por Weck, Philippe F., Kim, Eunja, Wang, Yifeng, Kruichak, Jessica N., Mills, Melissa M., Matteo, Edward N., Pellenq, Roland J.-M.
Publicado 2017