{"id":"W3025421390","doi":"","title":"Effect of Help-Guest Size and Hydrogen Bonding on the Stability of N-Methylpiperidine Structure H Clathrate Hydrate","year":2020,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry","topic":"Methane Hydrates and Related Phenomena","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Clathrate hydrate; Chemistry; Hydrate; Hydrogen bond; Molecule; Phase diagram; Molecular dynamics; Hydrogen storage; Hydrogen; Chemical physics; Phase (matter); Crystallography; Physical chemistry; Computational chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006270184,0.0001466985,0.0003346938,0.000003064919,0.00005975723,0.000006559799,0.0003037544,0.0000503196,0.0003092735],"category_scores_gemma":[0.000229925,0.00006541958,0.0001152654,0.0001682704,0.0003591232,0.00005297679,0.000129002,0.0004662751,0.000002723604],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002526673,"about_ca_system_score_gemma":0.000008566502,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006931101,"about_ca_topic_score_gemma":1.358652e-7,"domain_scores_codex":[0.9989289,0.0002058626,0.0002889848,0.0001125458,0.0003294926,0.0001342063],"domain_scores_gemma":[0.9983485,0.0009437073,0.0004035014,0.000182039,0.00001334138,0.0001089586],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002944541,0.0000332454,0.0003599341,0.0000839691,0.00004519319,0.000001748172,0.0008432882,0.0010537,0.9971333,0.000006518523,0.00003962917,0.0001050002],"study_design_scores_gemma":[0.0003201341,0.000517297,0.0001774157,0.00003428159,0.00009487523,0.000008074338,0.00009537888,0.001402458,0.9969551,0.0002705928,0.00005837842,0.00006599999],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998136,0.0001169941,0.000001640293,0.000843513,0.00001603759,0.00008742322,0.0000116999,0.000002889699,0.0007837408],"genre_scores_gemma":[0.9997321,0.00002069253,0.000007922581,0.00004550688,0.0001669471,4.228554e-7,4.242852e-7,0.000009437311,0.00001657287],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001596012,"threshold_uncertainty_score":0.3386329,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007066851212253479,"score_gpt":0.2159792093918458,"score_spread":0.2089123581795923,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}