{"id":"W2077507981","doi":"10.1063/1.2338310","title":"Computational studies on thermodynamic properties, effective diameters, and free volume of argon using an <i>ab initio</i> potential","year":2006,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":29,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid","keywords":"Argon; van der Waals force; Ab initio; Supercritical fluid; Equation of state; Thermodynamics; Monte Carlo method; Ab initio quantum chemistry methods; Chemistry; Physics; Molecule","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":[0.000867795,0.0005632575,0.0009319849,0.001169667,0.001213479,0.0007629331,0.00144198,0.0009170583,0.001472051],"category_scores_gemma":[0.002901385,0.0004612184,0.0005815823,0.001747041,0.0007805471,0.0008967402,0.0005028505,0.000764221,0.0001272778],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001249208,"about_ca_system_score_gemma":0.001540867,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0104606,"about_ca_topic_score_gemma":0.008971165,"domain_scores_codex":[0.9997513,0.00007610015,0.00001434132,0.00003055548,0.00008349203,0.00004418428],"domain_scores_gemma":[0.9979237,0.00153468,0.00009407815,0.0001164839,0.0002653623,0.00006560452],"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":[0.0000893246,0.00006218556,0.001761728,0.0001134574,0.00002266661,0.000121077,0.00006124751,0.9855043,0.001990924,0.007187567,0.0002423435,0.002843155],"study_design_scores_gemma":[0.0000248724,0.00003933515,0.0003159394,0.000007723612,0.000008575848,0.00001207491,0.00002139508,0.9965294,0.001833949,0.0009752566,0.0002233573,0.000008214391],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9789852,0.0003279566,0.01130806,0.0002063286,0.00002284944,0.0000629293,0.0007037639,0.0002088087,0.008174092],"genre_scores_gemma":[0.9809441,0.0002675461,0.01741338,0.00003609517,0.00001336186,0.0001695546,0.0004736607,0.00008524588,0.0005970999],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0104606,"threshold_uncertainty_score":0.02079946,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0138751130094857,"score_gpt":0.2208486300886096,"score_spread":0.2069735170791239,"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."}}