{"id":"W2051853743","doi":"10.1007/s00214-012-1097-y","title":"Imperfect periodicity and systematic changes of some structural features along linear polymers: the case of rod-like boron/nitrogen nanostructures","year":2012,"lang":"en","type":"article","venue":"Theoretical Chemistry Accounts","topic":"Boron and Carbon Nanomaterials Research","field":"Materials Science","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"Memorial University of Newfoundland","funders":"Canada Research Chairs","keywords":"Nanoneedle; Materials science; Polymer; Nanostructure; Boron nitride; Bond length; Boron; Density functional theory; Chemical physics; Hydrogen bond; Molecular dynamics; Rod; Crystallography; Molecule; Nanotechnology; Chemistry; Computational chemistry; Crystal structure; Composite material","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001199468,0.0001339015,0.0001414066,0.0002009475,0.0004365203,0.0003581926,0.0003240325,0.0003791904,0.001050822],"category_scores_gemma":[0.000311968,0.000221586,0.0001151027,0.0001635342,0.0006830309,0.0002705111,0.0001640729,0.0002753027,0.0001099998],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002094649,"about_ca_system_score_gemma":0.0001716558,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006451043,"about_ca_topic_score_gemma":0.0007839545,"domain_scores_codex":[0.9999211,0.00001017088,0.000003975425,0.00002107204,0.00002028659,0.00002341678],"domain_scores_gemma":[0.9997866,0.00004755704,0.000065125,0.00005309278,0.00001424784,0.0000334845],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0006159925,0.00009683498,0.00336617,0.000151732,0.00002841746,0.000970897,0.0002445363,0.01127934,0.963977,0.01333704,0.0004082646,0.005523857],"study_design_scores_gemma":[0.0001358438,0.0006912059,0.04540858,0.00003931825,0.00008322635,0.001455184,0.0005414023,0.1536862,0.7828533,0.01147062,0.003487385,0.0001477934],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995304,0.0001163486,0.001537761,0.00003839837,0.00001219801,0.000003399703,0.00003364782,0.00004044969,0.002913828],"genre_scores_gemma":[0.9990079,0.00003696575,0.0006750113,0.000006013691,0.000002275148,0.000003305977,0.00002206124,0.000008354201,0.0002382153],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001050822,"threshold_uncertainty_score":0.003515363,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007198623380438275,"score_gpt":0.2607026736833389,"score_spread":0.2535040503029006,"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."}}