{"id":"W7038002410","doi":"","title":"Experimental and Computational Investigations of Chalcogen Bonding","year":2024,"lang":"en","type":"dissertation","venue":"MacSphere (McMaster University)","topic":"Military Technology and Strategies","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"","keywords":"Chalcogen; Molecule; Halogenation; van der Waals force; Deprotonation; Crystal structure; Bromine","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":[0.001075209,0.0009091023,0.001113346,0.001247188,0.001284935,0.001168466,0.002469392,0.001812968,0.02260861],"category_scores_gemma":[0.002756014,0.000501955,0.001228413,0.001983198,0.0008561637,0.001142012,0.0006916084,0.00152059,0.001413928],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001194675,"about_ca_system_score_gemma":0.001243889,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01195855,"about_ca_topic_score_gemma":0.01452246,"domain_scores_codex":[0.9996052,0.0001047983,0.00001872022,0.00006461079,0.0001007093,0.0001059223],"domain_scores_gemma":[0.9975218,0.001799683,0.0001083778,0.0001917119,0.0002963117,0.00008214722],"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":[0.0003724638,0.0005113721,0.005729679,0.001182734,0.0001906856,0.0004393881,0.000127833,0.9197612,0.001036538,0.03236088,0.02589112,0.01239601],"study_design_scores_gemma":[0.0002738014,0.0001508605,0.001794952,0.00006335491,0.00004440247,0.00006651611,0.000191356,0.9771514,0.0009758814,0.0105071,0.008756025,0.00002441031],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8123971,0.003566757,0.01058923,0.003431105,0.0004006306,0.000180459,0.02724465,0.001206186,0.140984],"genre_scores_gemma":[0.9532359,0.001010219,0.01955379,0.0005056341,0.0001283877,0.0003708692,0.01917019,0.0003119007,0.005713221],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02260861,"threshold_uncertainty_score":0.07563335,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01124455341963338,"score_gpt":0.2024905254873665,"score_spread":0.1912459720677331,"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."}}