{"id":"W2006006349","doi":"10.1063/1.2804867","title":"A simple model of molecular electronic devices and its analytical solution","year":2007,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":47,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Montréal","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Eigenvalues and eigenvectors; Hamiltonian (control theory); Hermitian matrix; Simple (philosophy); Transmission coefficient; Conductance; Molecule; Physics; Wave function; Function (biology); Quantum mechanics; Mathematics; Transmission (telecommunications); Condensed matter physics; Computer science","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001558014,0.0000620656,0.0001152974,0.00002015499,0.00001248721,0.000003651508,0.00007969586,0.00003560562,0.000002006057],"category_scores_gemma":[0.00001334231,0.00004307396,0.00005498726,0.00009403953,0.00002605739,0.00004493217,0.00001439514,0.0001863545,2.351328e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002333312,"about_ca_system_score_gemma":0.00001527322,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":6.653947e-7,"about_ca_topic_score_gemma":2.974193e-7,"domain_scores_codex":[0.9995204,0.000007308669,0.0001777124,0.00002922049,0.0001339097,0.0001314273],"domain_scores_gemma":[0.9997515,0.00003198377,0.00005548347,0.00006094377,0.00006015783,0.0000399521],"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":[0.00002411364,0.000009251085,0.000005701866,0.00001667303,0.00004831832,6.449328e-7,0.00003050854,0.02459692,0.9724518,0.001946196,0.00006700793,0.0008028416],"study_design_scores_gemma":[0.0001274281,0.00002253743,0.00002779461,0.000007306418,0.00007351532,0.00001531481,0.000005711327,0.2467498,0.7413834,0.01151395,0.00003021378,0.00004298955],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8783744,0.0007973916,0.1206479,0.00001970782,0.0000124914,0.00002060302,8.896256e-7,0.000005192205,0.0001213999],"genre_scores_gemma":[0.999693,0.00004873403,0.0001682439,0.00002739508,0.00005226819,8.308551e-8,5.351883e-7,0.000008502306,0.000001181385],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2310684,"threshold_uncertainty_score":0.1756505,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007444972684371516,"score_gpt":0.2239627028526238,"score_spread":0.2165177301682523,"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."}}