Marie L. Laury

Tinker 8: Software Tools for Molecular Design

Joshua A. Rackers, Zhi Wang, Chao Lü et al. · Journal of Chemical Theory and Computation · 2018 · 1.2K citations · Full text

Engineering, Molecular Biology, Computer Architecture +20

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

Marie L. Laury, Lee‐Ping Wang, Vijay S. Pande et al. · The Journal of Physical Chemistry B · 2015 · 248 citations · Full text

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

Marie L. Laury, Matthew J. Carlson, Angela K. Wilson · Journal of Computational Chemistry · 2012 · 235 citations

Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry

Wanyi Jiang, Marie L. Laury, Mitchell Powell et al. · Journal of Chemical Theory and Computation · 2012 · 86 citations

Materials Science, Inorganic Chemistry, Chemical Thermodynamics +15

Performance of Density Functional Theory for Second Row (4<i>d</i>) Transition Metal Thermochemistry

Marie L. Laury, Angela K. Wilson · Journal of Chemical Theory and Computation · 2013 · 84 citations

Materials Science, Inorganic Chemistry, Engineering +14