# the study of first principles

First-principles study of the impact of the atomic configuration on the… » Jan 9, 2019… We employ first-principles calculations in the formalism of standard and hybrid density functional theory to study the electronic and structural ... Link.aps.org

Development of first-principles interaction model potentials. An… » This work presents the development of first-principles bromide ion–water interaction potentials using the… An application to the study of the bromide hydration. Aip.scitation.org

First principles study of charge diffusion between proximate solid… » Here we develop a method to calculate the tunneling-mediated charge diffusion between point defects from first principles, and apply it to nitrogen-vacancy (NV) ... Arxiv.org

First principle | philosophy | Britannica.com » First principle: metaphysics: The science of first principles: …metaphysics is “the study of first principles,” or ultimate, irrefutable truths. Britannica.com

Core principles of evolutionary medicine: A Delphi study. » Evol Med Public Health. 2017 Dec 26;2018(1):13-23. doi: 10.1093/emph/eox025. eCollection 2018. Core principles of evolutionary medicine: A Delphi study. Ncbi.nlm.nih.gov

A first-principles study of hydrogen storage capacity based on Li–Na… » Herein, we performed a detailed study of the hydrogen storage properties of Li and Na co-decorated silicene (Li–Na-decorated silicene) based on first- principles ... Pubs.rsc.org

First Principles Study Series » Therefore leaving the doctrine of the first principles of Christ, let us… As of today, these same First Principles Studies are being taught to all the new disciples of ... Caicc.net

First Principles Studies | The Greater Houston Church » The First Principles is a study series designed to help men and women know Jesus and find salvation through God's grace in Jesus Christ, by following in the ... Thegreaterhoustonchurch.com

Metal/graphene heterobilayers as hydrogen evolution reaction… » From the study of precious metal/graphene heterobilayers instead of commercial Pt/C… as hydrogen evolution reaction cathodes: a first-principles study. Pubs.rsc.org

First-principles study of electronic structure, transport, and optical… » Sep 6, 2018… First-principles study of electronic structure, transport, and optical properties of EuCd2As2. Jyoti Krishna, T. Nautiyal, and T. Maitra. Phys. Rev. Link.aps.org