Atomistic modeling and simulation

由 Philpott, M.R.
出版 2014

Ab initio molecular dynamics simulation of LiBr association in water

由 Izvekov, S., Philpott, M.R.
出版 2014

The electronic structure of the dizincocene core

由 Philpott, M.R., Kawazoe, Y.
出版 2014

Evolution of the dizincocene metal-metal bond in the series Zn2L2 where L = H, CH3, F, η5-C5H5

由 Philpott, M.R., Kawazoe, Y.
出版 2014

Electronic structure of bulk and (0 0 1) surface layers of pyrite FeS 2

由 Cai, J., Philpott, M.R.
出版 2014

Electronic structure of dimetallocene molecules: Dizincocene Zn2(η5-C5Me5) 2

由 Philpott, M.R., Kawazoe, Y.
出版 2014

Computer modelling of metal dissolution in the presence of aqueous electrolyte

由 Eglitis, R.I., Philpott, M.R.
出版 2014

Semiconductor-metal transition of pyrite FeS2 under high pressure by full-potential linearized-augmented plane wave calculations

由 Cai, J., Goliney, I., Philpott, M.R.
出版 2014

Ab initio simulation of metal cluster surrounded by electrolyte

由 Izvekov, S., Philpott, M.R., Eglitis, R.I.
出版 2014

Molecular dynamics simulation of water in a contact with an iron pyrite FeS 2 surface

由 Philpott, M.R., Goliney, I.Y., Lin, T.T.
出版 2014

Modeling metal dissolution in aqueous electrolyte: Hartree-fock and molecular dynamics calculations

由 Eglitis, R.I., Izvekov, S.V., Philpott, M.R.
出版 2014

Metal dissolution in aqueous electrolyte Semi-empirical Hartree-Fock and ab initio MD calculations

由 Eglitis, R.I., Izvekov, S.V., Philpott, M.R.
出版 2014

Computational Materials: Preface

由 Feng, Y.P., Chen, K., Philpott, M.R., Srolovitz, D., Wu, P.
出版 2014