{"id":"W1987023827","doi":"10.1063/1.2209687","title":"Does the most stable formic acid tetramer have π stacking or C–H⋯O interactions?","year":2006,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Tetramer; Stacking; Dimer; Density functional theory; Maxima and minima; Chemistry; Formic acid; Stack (abstract data type); Potential energy surface; Crystallography; Cluster (spacecraft); Planar; Molecular physics; Molecule; Computational chemistry; Chemical physics; Mathematics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001317912,0.0002164636,0.0003034016,0.00001058585,0.0002020176,0.00005198289,0.0004522143,0.00002104771,0.00007052549],"category_scores_gemma":[0.00001882267,0.00008354802,0.0001875182,0.0001896452,0.0002427266,0.0003882211,0.0001432227,0.0007035087,0.000009866925],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007462056,"about_ca_system_score_gemma":0.00004831635,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004499083,"about_ca_topic_score_gemma":0.00000189383,"domain_scores_codex":[0.998763,0.00003605617,0.0004497942,0.0001104474,0.0003207645,0.0003199267],"domain_scores_gemma":[0.9984121,0.0005235195,0.0005040846,0.0002761778,0.0002344791,0.00004960529],"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":[0.0003259532,0.0004968311,0.001422251,0.00002229408,0.0004030035,0.000001971346,0.000705948,0.001835738,0.9641496,0.005055631,0.01404267,0.01153809],"study_design_scores_gemma":[0.0003399651,0.00001958012,0.00001925891,0.00004188238,0.0001099009,0.00000366614,0.0008003328,0.0001094712,0.7118397,0.282867,0.00371065,0.0001385796],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9603307,0.0001824232,0.02863083,0.001717281,0.0004263088,0.0002416632,0.00005343368,0.0000281591,0.008389185],"genre_scores_gemma":[0.996564,0.000008492163,0.0003965761,0.0001204753,0.002496844,0.000005084148,0.000006495628,0.00002903336,0.0003729447],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2778113,"threshold_uncertainty_score":0.3406989,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0128352316306786,"score_gpt":0.2691649671504566,"score_spread":0.2563297355197779,"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."}}