{"id":"W2015774868","doi":"10.1016/j.cplett.2005.05.102","title":"Generalized Swain–Schaad relations including tunneling and temperature dependence","year":2005,"lang":"en","type":"article","venue":"Chemical Physics Letters","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":false,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"","keywords":"Quantum tunnelling; Kinetic isotope effect; Exponent; Condensed matter physics; Isotope; Kinetic energy; Physics; Chemistry; Quantum mechanics; Deuterium","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00003252757,0.0001870993,0.0001675798,0.00001372617,0.0001547986,0.00006051224,0.000153813,0.0001418851,0.0001168896],"category_scores_gemma":[0.00003148582,0.0001858705,0.00007763816,0.00009027623,0.00007214209,0.0001340699,0.00008510353,0.0005218197,0.00001049199],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007552312,"about_ca_system_score_gemma":0.00001352922,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004954129,"about_ca_topic_score_gemma":7.02407e-7,"domain_scores_codex":[0.9990525,0.000008787878,0.0001650951,0.0003322422,0.0001822088,0.0002592002],"domain_scores_gemma":[0.9995471,0.00003688271,0.00005812765,0.0002354349,0.00002077667,0.0001016777],"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":[0.00000954328,0.00001046479,0.0001873928,0.00002278757,0.00002368504,0.00000644042,0.0001757347,0.0003094748,0.9960337,0.00175045,0.0009642354,0.0005061422],"study_design_scores_gemma":[0.0003769795,0.00000140412,0.00002184759,0.00003505174,0.00002556289,0.00001346906,0.00001540857,0.0009963827,0.9960322,0.0013929,0.000853683,0.0002351365],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950651,0.0002124486,0.0008752946,0.002573889,0.0000334418,0.00003486464,0.00001007505,0.00007673189,0.001118189],"genre_scores_gemma":[0.9899325,0.00001358992,0.007018931,0.002007704,0.0008438083,0.000008107734,0.00004442422,0.00002582917,0.0001050587],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006143636,"threshold_uncertainty_score":0.7579578,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009675517990703562,"score_gpt":0.240901109110602,"score_spread":0.2312255911198984,"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."}}