{"id":"W4382582322","doi":"10.3390/condmat8030055","title":"Theoretical Study of Thermoelectric Properties of a Single Molecule of Diphenyl-Ether","year":2023,"lang":"en","type":"article","venue":"Condensed Matter","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"International Council for Canadian Studies; Universidad Pedagógica y Tecnológica de Colombia","keywords":"Diphenyl ether; Thermoelectric effect; Seebeck coefficient; Figure of merit; Molecule; Materials science; Conductance; Thermoelectric materials; Ether; Hamiltonian (control theory); Semiconductor; Planar; Electric potential energy; Thermal; Chemical physics; Chemistry; Condensed matter physics; Optoelectronics; Physics; Energy (signal processing); Thermodynamics; Organic chemistry; Computer science; Quantum mechanics; Mathematics","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":[0.0002929692,0.00055322,0.0006913517,0.0008316375,0.0006644606,0.000540661,0.00105264,0.001072631,0.004738763],"category_scores_gemma":[0.0005210936,0.000277207,0.0006388047,0.0004385282,0.001217226,0.001034181,0.0005784433,0.0006050579,0.0003957028],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000641854,"about_ca_system_score_gemma":0.0005412978,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002263109,"about_ca_topic_score_gemma":0.00207319,"domain_scores_codex":[0.9998859,0.00002364009,0.000003100745,0.00001636368,0.00003800223,0.00003291913],"domain_scores_gemma":[0.9998232,0.00008657046,0.00001793832,0.00002655219,0.00002786791,0.00001792043],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00006088297,0.0001118859,0.0006498477,0.0004426229,0.00004746837,0.0004425938,0.0001841799,0.4524215,0.01739384,0.5224979,0.0008825942,0.00486474],"study_design_scores_gemma":[0.00001311797,0.00002645539,0.0002970262,0.00001593468,0.00001194149,0.00004535976,0.00003313304,0.972368,0.0008727507,0.02566475,0.0006439109,0.000007559555],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6640133,0.003030902,0.184818,0.001971734,0.0001959616,0.000125269,0.0003379945,0.0001559801,0.1453508],"genre_scores_gemma":[0.9745163,0.000929829,0.01249972,0.0001915792,0.00007372482,0.0001263094,0.00009684772,0.00005395109,0.01151167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004738763,"threshold_uncertainty_score":0.01585281,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01051044658166524,"score_gpt":0.1949612496663593,"score_spread":0.184450803084694,"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."}}