{"paper":{"title":"Transport properties of Valine in water at different temperatures","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci","cond-mat.soft"],"primary_cat":"physics.chem-ph","authors_text":"Deepak Pandey, Narayan Prasad Adhikari","submitted_at":"2018-09-13T14:46:41Z","abstract_excerpt":"Molecular Dynamics simulations of Valine in water and their binary mixtures ($N_{Val}$ =0.003 \\& $N_{water}$=0.997, $N$ representing the mole fraction) have been accomplished at temperatures 293.20 K, 303.20 K, 313.20 K, 323.20 K, and 333.20 K using the OPLS/AA force field parameters. The work has been carried out by using GROMACS. The OW-OW, H19-OW, N6-OW and C1/C3-OW radial distribution functions (RDFs) have been estimated. Co-ordination numbers are also determined by the self-coded FORTRAN. The self-diffusion coefficients of Valine and water have been determined by means of mean-square disp"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1809.04996","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}