{"id":"W2908706470","doi":"10.1039/c8cp07171c","title":"First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(<sup>1</sup>D) by N<sub>2</sub>","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ministry of Education and Child Care","funders":"Ministry of Science and Technology of the People's Republic of China; National Natural Science Foundation of China; U.S. Department of Energy","keywords":"Intersystem crossing; Excited state; Quenching (fluorescence); Atomic physics; Ab initio; Potential energy; Reaction dynamics; Resonance (particle physics); Spin (aerodynamics); Chemistry; Ground state; Internal conversion; Physics; Molecular physics; Molecule; Fluorescence; Spectral line; Quantum mechanics; Thermodynamics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000314455,0.000411299,0.0004137931,0.0002013521,0.0005812562,0.0003639353,0.001078739,0.0004755899,0.001551043],"category_scores_gemma":[0.0009161094,0.0002764909,0.0003539078,0.0002161838,0.001025485,0.001048176,0.0004416645,0.0008453062,0.0001100836],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001062574,"about_ca_system_score_gemma":0.0006057205,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004219679,"about_ca_topic_score_gemma":0.002983972,"domain_scores_codex":[0.9998627,0.00002330034,0.000004450519,0.00002694088,0.00006057842,0.00002205091],"domain_scores_gemma":[0.9995708,0.0001893371,0.00005379797,0.00009861141,0.00006015992,0.00002736677],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002068455,0.0003066281,0.006949221,0.0003666146,0.0001356669,0.0005274534,0.0009233467,0.7353925,0.09433944,0.1417361,0.001528778,0.01758726],"study_design_scores_gemma":[0.00000726022,0.00001930141,0.001256884,0.000003352649,0.000003526648,0.00004596672,0.00002408703,0.9866902,0.007104361,0.004500323,0.0003329524,0.00001174923],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8879495,0.0003863412,0.09955069,0.0002371001,0.00003926866,0.00009024968,0.0003041453,0.0004250786,0.01101757],"genre_scores_gemma":[0.9927883,0.0001084763,0.006398309,0.00002376473,0.000003639209,0.00003184455,0.00009713544,0.00004002476,0.0005083833],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004219679,"threshold_uncertainty_score":0.008390248,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007061922718172135,"score_gpt":0.2296276157851302,"score_spread":0.2225656930669581,"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."}}