{"id":"W2980211003","doi":"10.1002/cphc.201900769","title":"Laplacian of the Hamiltonian Kinetic Energy Density as an Indicator of Binding and Weak Interactions","year":2019,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Kinetic energy; Covalent bond; Chemistry; Intermolecular force; Chemical physics; Delocalized electron; Molecule; Chemical bond; Electron localization function; Atoms in molecules; Binding energy; Electron density; Hamiltonian (control theory); Atomic physics; Potential energy; Computational chemistry; Electron; Physics; Quantum mechanics","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":[0.0003170656,0.0002098095,0.0001749522,0.001424501,0.0002197475,0.000482826,0.0003889337,0.0003813063,0.00275927],"category_scores_gemma":[0.001210416,0.00008845926,0.0001583512,0.0005424793,0.001016237,0.0006403731,0.0006897792,0.000365938,0.0002524774],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002920865,"about_ca_system_score_gemma":0.0001836448,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004860056,"about_ca_topic_score_gemma":0.0002613021,"domain_scores_codex":[0.9998307,0.00003395574,0.000007105113,0.00002833569,0.00005993936,0.00003991227],"domain_scores_gemma":[0.9993642,0.0002873666,0.00009852731,0.00007005315,0.00006962541,0.0001102896],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0005541103,0.0004948936,0.05038927,0.0004381,0.0001046034,0.001561554,0.001701245,0.08223619,0.482296,0.2884975,0.002446256,0.08928027],"study_design_scores_gemma":[0.00002972908,0.0004191016,0.1442982,0.00005193847,0.00003902392,0.002211395,0.001661008,0.6353963,0.05654557,0.1541412,0.005003264,0.00020328],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9082299,0.0003372855,0.07743412,0.0002601927,0.00002659661,0.00002659058,0.000224711,0.0003727223,0.0130877],"genre_scores_gemma":[0.9948619,0.00005317737,0.004204753,0.0000159022,0.000008072228,0.00001154187,0.00006923846,0.00001989661,0.0007554613],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00275927,"threshold_uncertainty_score":0.009230733,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006486016431706761,"score_gpt":0.2357891890649972,"score_spread":0.2293031726332904,"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."}}