{"id":"W1964407030","doi":"10.1063/1.1501122","title":"The total molecular dipole moment for liquid water","year":2002,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":211,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Dipole; Polarizability; Solvation; Chemistry; Electric field; Electric dipole moment; Moment (physics); Refractive index; Multipole expansion; Bond dipole moment; Chemical polarity; Water model; Molecular physics; Molecule; Chemical physics; Computational chemistry; Molecular dynamics; Physics; Optics; Organic chemistry; Classical mechanics; Quantum mechanics","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":[0.0001659373,0.0003682297,0.0003804138,0.0008088552,0.0003933265,0.0006096892,0.000650587,0.0003719995,0.009130226],"category_scores_gemma":[0.0006818362,0.0001740358,0.0003082851,0.000801296,0.0005163657,0.000960019,0.0005736672,0.0008750578,0.002555813],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004682247,"about_ca_system_score_gemma":0.000426115,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000761217,"about_ca_topic_score_gemma":0.0007327226,"domain_scores_codex":[0.9998204,0.00001895682,0.000006650207,0.00005229611,0.00008127977,0.00002036025],"domain_scores_gemma":[0.9998507,0.00004102287,0.00003187362,0.00002274248,0.0000431003,0.00001050434],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000093727,0.00005514553,0.00105629,0.001570564,0.00006051891,0.0002773488,0.0002752939,0.0187596,0.288837,0.4506629,0.03607336,0.2022783],"study_design_scores_gemma":[0.00002988276,0.0002141024,0.005872411,0.00017427,0.00005651704,0.002011174,0.0001672958,0.07983195,0.1652655,0.2458053,0.5003343,0.0002372793],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.1073589,0.05963454,0.6601881,0.003167446,0.002412289,0.000281977,0.006590513,0.002042882,0.1583233],"genre_scores_gemma":[0.7543203,0.02711632,0.1486875,0.0008109002,0.0009659387,0.0004606036,0.005160757,0.0007534764,0.06172426],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.009130226,"threshold_uncertainty_score":0.03054368,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01084455364301653,"score_gpt":0.2367227049749753,"score_spread":0.2258781513319588,"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."}}