{"id":"W2044001886","doi":"10.1021/jp022127b","title":"Coming to Grips with N−H···N Bonds. 2. Homocorrelations between Parameters Deriving from the Electron Density at the Bond Critical Point","year":2002,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":85,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"","keywords":"Bond; Point (geometry); Electron; Electron density; Critical point (mathematics); Chemistry; Mathematics; Physics; Economics; Quantum mechanics; Mathematical analysis; Geometry","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":[0.0005519339,0.0003125151,0.000455716,0.0004708011,0.0005557953,0.0004420541,0.0006202026,0.0004869639,0.004090023],"category_scores_gemma":[0.001325373,0.0003254178,0.0003071194,0.0004588066,0.0008813609,0.001009721,0.0007334537,0.0006707321,0.0003274179],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002975145,"about_ca_system_score_gemma":0.0003279684,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006535352,"about_ca_topic_score_gemma":0.001558681,"domain_scores_codex":[0.9997746,0.00005216023,0.000009094368,0.00004909313,0.00006528664,0.0000496957],"domain_scores_gemma":[0.9995552,0.0001676969,0.00006317488,0.0001319839,0.00005160787,0.00003043169],"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":[0.0022578,0.0005068996,0.06259605,0.002345396,0.0005735668,0.001748467,0.001671276,0.1899956,0.4147203,0.1352887,0.007320331,0.1809755],"study_design_scores_gemma":[0.0002369391,0.002748621,0.08264842,0.0002543666,0.0003772425,0.001140253,0.001966467,0.5081974,0.2151293,0.1722534,0.01477824,0.0002693129],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9800653,0.0008978735,0.01174073,0.0002649082,0.00002999215,0.00001927823,0.0002303848,0.0001192959,0.006632132],"genre_scores_gemma":[0.9943898,0.000258248,0.004598254,0.00006886294,0.000007333228,0.00002858513,0.0002664731,0.00003046823,0.0003518849],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004090023,"threshold_uncertainty_score":0.01368243,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01322791229980679,"score_gpt":0.2461671895084975,"score_spread":0.2329392772086907,"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."}}