{"id":"W1992745947","doi":"10.1088/1367-2630/9/3/068","title":"Complete free energy landscape and statistical thermodynamics of single poly(ethylene glycol) molecules","year":2007,"lang":"en","type":"article","venue":"New Journal of Physics","topic":"Material Dynamics and Properties","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Office of Naval Research; Killam Trusts; Western Canada Research Grid","keywords":"Trimer; Ethylene glycol; Physics; Monomer; Extension (predicate logic); Molecule; Dimer; Thermodynamics; Statistical mechanics; Statistical physics; Polymer; Computational chemistry; Chemical physics; Quantum mechanics; Chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008734788,0.0004027608,0.0007114167,0.001089397,0.0008673882,0.001184217,0.001125809,0.0008878591,0.002678733],"category_scores_gemma":[0.002194561,0.0004240861,0.0005253339,0.0006054995,0.001657364,0.002520657,0.0008543659,0.000456379,0.0003274485],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000897856,"about_ca_system_score_gemma":0.0005241083,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001428307,"about_ca_topic_score_gemma":0.001046323,"domain_scores_codex":[0.9997168,0.00006563246,0.00001122987,0.00004276487,0.0001018627,0.00006163958],"domain_scores_gemma":[0.9992513,0.0004134758,0.00006895907,0.00009268305,0.00007604431,0.00009753423],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00008074366,0.00007641564,0.002208806,0.0001367004,0.00006042111,0.0003674388,0.0001028862,0.8028726,0.01028014,0.1767625,0.0005529053,0.006498441],"study_design_scores_gemma":[0.00001097128,0.00003196365,0.001980584,0.000009408668,0.00000805275,0.0000468568,0.00003387025,0.9036997,0.0008936538,0.09283353,0.0004287066,0.00002269244],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8975577,0.001113392,0.09086439,0.0005972529,0.00002548297,0.00004448812,0.0003557239,0.0001546452,0.009286877],"genre_scores_gemma":[0.992094,0.0004801404,0.00504257,0.00006139242,0.0000271348,0.0001191889,0.0003071516,0.00007548316,0.001793033],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002678733,"threshold_uncertainty_score":0.008961201,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01537715522745162,"score_gpt":0.2257674793043331,"score_spread":0.2103903240768814,"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."}}