{"id":"W2996238935","doi":"10.3390/molecules24244533","title":"Intramolecular Hydrogen Bonds in Normal and Sterically Compressed o-Hydroxy Aromatic Aldehydes. Isotope Effects on Chemical Shifts and Hydrogen Bond Strength","year":2019,"lang":"en","type":"article","venue":"Molecules","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Steric effects; Intramolecular force; Chemistry; Hydrogen bond; Kinetic isotope effect; Low-barrier hydrogen bond; Sextuple bond; Bond order; Bond energy; Chemical shift; Deuterium; Hydrogen; Computational chemistry; Single bond; Bond length; Aldehyde; Chemical bond; Bond strength; Crystallography; Molecule; Physical chemistry; Stereochemistry; Organic chemistry; Group (periodic table); Atomic physics","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":[0.0001978359,0.0002916769,0.0001647417,0.0002365696,0.000152576,0.0001247027,0.0002990918,0.0001993005,0.001950139],"category_scores_gemma":[0.0002590298,0.0001113996,0.0001606787,0.0003010982,0.000247235,0.0002978068,0.000191615,0.0004038296,0.0002221063],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002152014,"about_ca_system_score_gemma":0.0001102153,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008786547,"about_ca_topic_score_gemma":0.001961245,"domain_scores_codex":[0.9998841,0.00002590877,0.000005573688,0.00001703892,0.00002884305,0.00003849914],"domain_scores_gemma":[0.9997664,0.00007720004,0.00005550597,0.00001883776,0.0000450099,0.00003694823],"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":[0.0006852472,0.00007523068,0.000966594,0.0003635316,0.0000379904,0.0002249875,0.0001369428,0.002589637,0.9870761,0.001448425,0.0001351608,0.006260092],"study_design_scores_gemma":[0.0000261619,0.001155727,0.003167227,0.00001587571,0.00003935127,0.0001168168,0.00009554689,0.002808355,0.9894628,0.0003206574,0.002768039,0.00002344516],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9930942,0.00226409,0.001257971,0.00005177549,0.00002804882,0.000008085791,0.000165067,0.00001820216,0.003112594],"genre_scores_gemma":[0.9976914,0.0008785827,0.0006956653,0.00001984444,0.000008350818,0.000004652054,0.0001150968,0.000006220104,0.0005803337],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001950139,"threshold_uncertainty_score":0.006523907,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003578270280507036,"score_gpt":0.2030364376329818,"score_spread":0.1994581673524748,"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."}}