{"id":"W2912312627","doi":"10.1039/c8cp07727d","title":"Potential energy surface and rovibrational bound states of the H<sub>2</sub>–C<sub>3</sub>N<sup>−</sup> van der Waals complex","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Nautical Research Society","funders":"Agence Nationale de la Recherche","keywords":"Rotational–vibrational spectroscopy; van der Waals force; Intermolecular force; Atomic physics; Van der Waals surface; Chemistry; Potential energy surface; Ion; Bound state; Van der Waals strain; Van der Waals radius; Rigid rotor; Physics; Computational chemistry; Rotor (electric); Quantum mechanics; Molecule; Excited state","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004237884,0.0006951155,0.0008196567,0.0009000624,0.00121493,0.001361888,0.001299499,0.001544054,0.005423874],"category_scores_gemma":[0.0007354415,0.0004032274,0.0007173318,0.0007923348,0.001195711,0.0007314943,0.0009174647,0.0009858833,0.0006312137],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001766386,"about_ca_system_score_gemma":0.001034857,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004209811,"about_ca_topic_score_gemma":0.003115137,"domain_scores_codex":[0.9997873,0.00006264448,0.000007100659,0.00002005414,0.00006442208,0.00005838183],"domain_scores_gemma":[0.99975,0.0001081055,0.00002144702,0.00003292498,0.00004751087,0.00004001702],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002527132,0.0002216897,0.002632825,0.0003044594,0.0001180703,0.0008459953,0.0002841695,0.778824,0.0141779,0.1868106,0.002930143,0.0125973],"study_design_scores_gemma":[0.00002627234,0.00003777711,0.001093299,0.00001054941,0.000007689187,0.00004358797,0.0001279755,0.9814979,0.0008656426,0.01528072,0.0009857664,0.0000227561],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9324911,0.001453349,0.0361808,0.001024023,0.00009620583,0.00007078824,0.0004570805,0.0001962378,0.02803051],"genre_scores_gemma":[0.9908854,0.0003330765,0.00546286,0.00008917988,0.00001667561,0.0001157136,0.0004235361,0.00005999955,0.002613528],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005423874,"threshold_uncertainty_score":0.01814467,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006723782026385575,"score_gpt":0.2147296157004956,"score_spread":0.20800583367411,"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."}}