Pub. Date : 2014 May 7
PMID : 24811617
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Liquid para-hydrogen (p-H2) is a typical quantum liquid which exhibits strong nuclear quantum effects (NQEs) and thus anomalous static and dynamic properties. | Hydrogen | polyhomeotic homolog 2 | Homo sapiens |
| 2 | We propose a real-time simulation method of wave packet (WP) molecular dynamics (MD) based on non-empirical intra- and inter-molecular interactions of non-spherical hydrogen molecules, and apply it to condensed-phase p-H2. | Hydrogen | polyhomeotic homolog 2 | Homo sapiens |
| 3 | The developed MD simulation for 100 ps with 1200 hydrogen molecules is realized at feasible computational cost, by which basic experimental properties of p-H2 liquid such as radial distribution functions, self-diffusion coefficients, and shear viscosities are all well reproduced. | Hydrogen | polyhomeotic homolog 2 | Homo sapiens |