{"id":"W4384525345","doi":"10.3390/condmat8030060","title":"Theoretical Study of Electronic and Thermal Transport Properties through a Single-Molecule Junction of Catechol","year":2023,"lang":"en","type":"article","venue":"Condensed Matter","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"International Council for Canadian Studies; Universidad Pedagógica y Tecnológica de Colombia","keywords":"Catechol; Molecule; Conductance; Thermal; Figure of merit; Thermoelectric effect; Conjugated system; Chemical physics; Thermal conductivity; Materials science; Function (biology); Work (physics); Space (punctuation); Seebeck coefficient; Nanotechnology; Chemistry; Condensed matter physics; Polymer; Computer science; Optoelectronics; Physics; Thermodynamics; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004460636,0.0004809719,0.0007617943,0.0007556054,0.0008123624,0.0009638021,0.00128948,0.001489599,0.002170901],"category_scores_gemma":[0.0007779225,0.0003543858,0.0008081063,0.0005224175,0.001346448,0.001157449,0.0004315657,0.0006322526,0.0002864709],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001135047,"about_ca_system_score_gemma":0.0008508587,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005203098,"about_ca_topic_score_gemma":0.003306883,"domain_scores_codex":[0.9998456,0.00004316236,0.000004501757,0.00002240485,0.00004158221,0.00004268262],"domain_scores_gemma":[0.9997757,0.0001126338,0.00002443454,0.00002783923,0.00003912855,0.00002027722],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00008881884,0.0001307537,0.001146567,0.0002332992,0.00005180026,0.0007252291,0.0002555056,0.7542388,0.02331065,0.2163562,0.0005955459,0.002866792],"study_design_scores_gemma":[0.000006956463,0.00001470295,0.0001578276,0.000006218333,0.000008648249,0.00002276208,0.00002746445,0.9955162,0.0005111895,0.003523877,0.0001978908,0.000006183826],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8686391,0.001376944,0.0781519,0.0009578975,0.00009921908,0.00008408257,0.0002451285,0.0001180097,0.05032758],"genre_scores_gemma":[0.9880823,0.0005425881,0.006461873,0.00008202432,0.00002172844,0.00007738729,0.00007082405,0.00003924716,0.004622166],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005203098,"threshold_uncertainty_score":0.01034564,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009473232727702697,"score_gpt":0.196143475605611,"score_spread":0.1866702428779083,"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."}}