Frances Hill

Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds

Nikolay A. Kovdienko, Pavel Polishchuk, Eugene Muratov et al. · Molecular Informatics · 2010 · 50 citations

Solvent Extraction, Chemical Kinetics, Qspr Prediction +20

Can the Gibbs Free Energy of Adsorption Be Predicted Efficiently and Accurately: An M05-2X DFT Study

A. Michálková, Leonid Gorb, Frances Hill et al. · The Journal of Physical Chemistry A · 2011 · 46 citations

Engineering, M05-2x Dft Study, Computational Chemistry +19

Toward robust computational electrochemical predicting the environmental fate of organic pollutants

Liudmyla K. Sviatenko, Olexandr Isayev, Leonid Gorb et al. · Journal of Computational Chemistry · 2011 · 43 citations · Full text

First-principles quantum molecular calculations of structural and mechanical properties of TiN/SiNx heterostructures, and the achievable hardness of the nc-TiN/SiNx nanocomposites

S. Vepřek, A. S. Argon, P. E. A. Turchi et al. · Thin Solid Films · 2015 · 37 citations · Full text

Materials Science, Engineering, Mechanical Properties +9

First-principles study of crystalline and amorphous AlMgB14-based materials

P. E. A. Turchi, S. Vepřek, V. I. Shevchenko et al. · Journal of Applied Physics · 2016 · 29 citations · Full text

Materials Science, Materials Engineering, Boron Nitride +14