{"id":"W2040708752","doi":"10.6000/1929-5030.2015.04.01.6","title":"Pyrrolidinyl Group as Charge Donor for the Excited State Intramolecular Chargetransferin 3-(4-methoxyphenyl)-1-(4-(pyrrolidin-1-yl) phenyl) Prop-2-en-1-one","year":2015,"lang":"en","type":"article","venue":"Journal of Applied Solution Chemistry and Modeling","topic":"Photochemistry and Electron Transfer Studies","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Department of Science and Technology, Ministry of Science and Technology, India","keywords":"Intramolecular force; Excited state; Charge (physics); Group (periodic table); Chemistry; State (computer science); Stereochemistry; Physics; Atomic physics; Computer science; Organic chemistry; Quantum mechanics; Algorithm","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"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":[0.00007257815,0.0002529407,0.0001220545,0.00009233234,0.00009167442,0.0001185731,0.0002272888,0.0001712342,0.00151773],"category_scores_gemma":[0.00008900434,0.00005447331,0.00006887469,0.0001216255,0.0001129463,0.0001588207,0.0001009789,0.0002739352,0.000397735],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001468893,"about_ca_system_score_gemma":0.0001345443,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001913169,"about_ca_topic_score_gemma":0.0002796809,"domain_scores_codex":[0.9999337,0.00001472764,0.000003636676,0.00001789554,0.0000153758,0.00001452598],"domain_scores_gemma":[0.9999385,0.00001331103,0.00001955467,0.000006771992,0.00001124537,0.00001065379],"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":[0.00008132281,0.00002075137,0.0000603591,0.00006236343,0.000001259683,0.0000583972,0.000009180176,0.0001092206,0.9968843,0.0002788909,0.0000394485,0.002394475],"study_design_scores_gemma":[0.00001820971,0.0003675977,0.0006167397,0.000003063085,0.000006039287,0.0001074741,0.000006850592,0.0007084388,0.9966001,0.00004397773,0.001517418,0.000004169996],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9912353,0.0009228051,0.005132325,0.00008015141,0.00002925473,0.00002324715,0.0001416027,0.00006141924,0.002373948],"genre_scores_gemma":[0.9946718,0.0004147537,0.002312026,0.00003299084,0.000007402116,0.00002002908,0.0001642522,0.000008175677,0.002368662],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00151773,"threshold_uncertainty_score":0.005077362,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03192929703580017,"score_gpt":0.2602805821929045,"score_spread":0.2283512851571043,"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."}}