{"id":"W4417201998","doi":"10.1021/prechem.5c00188","title":"Synthesis of <i>Bis</i> -Schiff Base (1 <i>E</i> ,1′ <i>E</i> )-1,1′-(1,4-Phenylene)bis( <i>N</i> -(2,3-dihydrobenzo[ <i>b</i> ][1,4]dioxin-6-yl)methanimine): A Combined Experimental and Theoretical Approach","year":2025,"lang":"en","type":"article","venue":"Precision Chemistry","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre for Global Health Research","funders":"","keywords":"Natural bond orbital; Molecular orbital; Intramolecular force; Intermolecular force; Density functional theory; Basis set; Hydrogen bond; Electron localization function; Molecule; Charge density","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","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.001833023,0.0006468351,0.001141613,0.0001219905,0.0002417161,0.0002688399,0.001220965,0.0004509471,0.001781015],"category_scores_gemma":[0.001090237,0.0005724969,0.0002479466,0.000567573,0.001434783,0.000276409,0.001459893,0.0004462631,0.00004241847],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001059688,"about_ca_system_score_gemma":0.000346981,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002381067,"about_ca_topic_score_gemma":4.073079e-7,"domain_scores_codex":[0.9949054,0.0003820869,0.001258839,0.001391793,0.001137688,0.0009242349],"domain_scores_gemma":[0.9958178,0.001828418,0.0002721546,0.001331533,0.0002780993,0.0004720234],"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":[0.001177688,0.001063297,0.00007203051,0.0006411134,0.00004717822,0.00001353652,0.00005372678,0.00001397801,0.9901586,0.004817276,0.001299925,0.0006416735],"study_design_scores_gemma":[0.001530313,0.0001069787,0.00002270064,0.0003148621,0.0000969979,0.00003151928,0.0002234357,0.0008613872,0.9943081,0.001000978,0.001000439,0.0005023206],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9537321,0.001146697,0.00204499,0.0003931723,0.0003095629,0.0006912822,0.0003049513,0.0002169801,0.04116023],"genre_scores_gemma":[0.975897,0.00009082511,0.02264042,0.0003347195,0.0001460699,0.0002520718,0.00003428481,0.00008050975,0.0005241359],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04063609,"threshold_uncertainty_score":0.9996727,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009910981515595463,"score_gpt":0.2717731287048517,"score_spread":0.2618621471892562,"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."}}