{"id":"W2007965786","doi":"10.1063/1.3652966","title":"Ultrafast non-adiabatic dynamics of methyl substituted ethylenes: The <i>π</i>3s Rydberg state","year":2011,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences","funders":"Natural Sciences and Engineering Research Council of Canada; Alexander von Humboldt-Stiftung; National Science Foundation","keywords":"Conical intersection; Rydberg formula; Excited state; Chemistry; Ab initio; Rydberg state; Photoisomerization; Ab initio quantum chemistry methods; Potential energy; Atomic physics; Computational chemistry; Molecular physics; Isomerization; Physics; Molecule","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":[0.0002730435,0.0002760716,0.0005209728,0.00001803859,0.00009709866,0.000009848875,0.0008313327,0.00003576578,0.00002391862],"category_scores_gemma":[0.00002715975,0.0001558085,0.0003239593,0.0003306457,0.0006502238,0.0002132245,0.0001477127,0.0006712701,0.000008029694],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006019561,"about_ca_system_score_gemma":0.00007344194,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005706715,"about_ca_topic_score_gemma":9.3514e-7,"domain_scores_codex":[0.9984106,0.00006663347,0.0006614755,0.0001297678,0.0003982605,0.0003332179],"domain_scores_gemma":[0.9976814,0.0005366562,0.0008892835,0.0004217211,0.0003704161,0.0001005025],"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":[0.0002546353,0.0006442179,0.002161299,0.0000568875,0.0009291586,0.000001871393,0.0080286,0.001465927,0.9713908,0.009494055,0.000219196,0.005353395],"study_design_scores_gemma":[0.0003774247,0.00003312091,0.0001219268,0.00004468023,0.0001962078,0.000001943218,0.0006732557,0.0002360642,0.7056435,0.292517,0.00001535369,0.0001395534],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9642957,0.00006261691,0.03035311,0.0001186948,0.0001371965,0.0001399235,0.00004212287,0.00000908818,0.004841563],"genre_scores_gemma":[0.9988472,0.00002390556,0.0005995777,0.00004235389,0.000410777,0.000004451327,0.000007110749,0.00003541459,0.00002920458],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2830229,"threshold_uncertainty_score":0.6353686,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01513896217665597,"score_gpt":0.2354226947520015,"score_spread":0.2202837325753455,"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."}}