{"id":"W1980810020","doi":"10.1039/c3dt00047h","title":"Lewis base complexes of AlH3: prediction of preferred structure and stoichiometry","year":2013,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"","keywords":"Steric effects; Chemistry; Monomer; Phosphine; Ligand (biochemistry); Crystallography; Stoichiometry; Ligand cone angle; Adduct; Amine gas treating; Lewis acids and bases; Raman spectroscopy; Stereochemistry; Polymer; Organic chemistry; Materials science","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":[0.0003482137,0.0003363573,0.0002903103,0.0003417646,0.0002222442,0.0005893059,0.0005220859,0.0004783344,0.002032338],"category_scores_gemma":[0.0008281044,0.0002528958,0.0001916591,0.0002382594,0.0001843798,0.0004876172,0.0002202904,0.0003111505,0.0003863504],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007812436,"about_ca_system_score_gemma":0.0002293899,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002426009,"about_ca_topic_score_gemma":0.003549548,"domain_scores_codex":[0.9998174,0.00002576525,0.00001280938,0.00004451954,0.00007260436,0.00002694901],"domain_scores_gemma":[0.9998128,0.00009285938,0.00002200162,0.00001291959,0.0000407239,0.00001867694],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001470472,0.000124821,0.01886078,0.000675879,0.00008509858,0.0004349199,0.0002872025,0.0695557,0.8842545,0.004838048,0.001096426,0.01831631],"study_design_scores_gemma":[0.000117758,0.0006780258,0.01027339,0.00006403088,0.00006351127,0.000233358,0.0005764497,0.3552924,0.6232564,0.004201984,0.005173928,0.00006872158],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9907541,0.0003338483,0.003861011,0.00006525212,0.000008747629,0.00003914267,0.0004904599,0.0001626473,0.004284749],"genre_scores_gemma":[0.9971657,0.0001449494,0.002005546,0.00001524883,0.000001556297,0.00001893883,0.0002351106,0.00002371771,0.0003891436],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002426009,"threshold_uncertainty_score":0.006798863,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01238712642999853,"score_gpt":0.2263897635828542,"score_spread":0.2140026371528556,"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."}}