{"id":"W2609384898","doi":"10.1090/crmp/041/09","title":"Simulating realistic and nonadiabatic chemical dynamics: Application to photochemistry and electron transfer reactions","year":2007,"lang":"en","type":"book-chapter","venue":"CRM proceedings & lecture notes","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Dynamics (music); Photochemistry; Electron; Electron transfer; Chemical physics; Chemical Dynamics; Chemistry; Physics; Quantum mechanics","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001365595,0.0007910599,0.0006751204,0.0001058754,0.0002983221,0.0001116281,0.0002141972,0.0009578634,0.00007605448],"category_scores_gemma":[0.000205463,0.0008546138,0.0001275666,0.00009210791,0.0001941574,0.00007395716,0.0000556495,0.001283835,0.000004170206],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003570896,"about_ca_system_score_gemma":0.00006769574,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004595745,"about_ca_topic_score_gemma":0.00004616959,"domain_scores_codex":[0.9973581,0.000001187409,0.0005538446,0.001104007,0.000326151,0.0006567206],"domain_scores_gemma":[0.9988418,0.0002569935,0.0001141839,0.0002229473,0.0002278483,0.0003362044],"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":[0.0001745769,0.00002807501,0.0000594577,0.002412647,0.0002141751,0.000004327257,0.0005248006,0.000009065849,0.9725359,0.01737122,0.00001123493,0.006654479],"study_design_scores_gemma":[0.000520532,0.00007453802,0.000007661009,0.0008356801,0.0005507124,0.0001650273,0.00005149308,0.001185762,0.9231384,0.06749083,0.00468477,0.001294625],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.1393364,0.002256082,0.009588921,0.0008206876,0.00004108333,0.001189975,0.0002755297,0.0005951397,0.8458962],"genre_scores_gemma":[0.9974636,0.0002299965,0.00009439151,0.0001771223,0.0004816696,0.0001752879,0.0002748663,0.0001421614,0.0009609404],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.8581272,"threshold_uncertainty_score":0.9993905,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01057065185083321,"score_gpt":0.2496059393882233,"score_spread":0.2390352875373901,"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."}}