{"id":"W2143409652","doi":"10.1002/chem.200400808","title":"Valence Shell Charge Concentrations at Pentacoordinate d<sup>0</sup> Transition‐Metal Centers: Non‐VSEPR Structures of Me<sub>2</sub>NbCl<sub>3</sub> and Me<sub>3</sub>NbCl<sub>2</sub>","year":2005,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Synthesis and characterization of novel inorganic/organometallic compounds","field":"Chemistry","cited_by":46,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Engineering and Physical Sciences Research Council; Jesus College, University of Oxford; Norges Forskningsråd; Universitetet i Oslo; Alexander von Humboldt-Stiftung","keywords":"Crystallography; Trigonal bipyramidal molecular geometry; Bond length; Valence (chemistry); Molecular geometry; Valence electron; Bent molecular geometry; Bipyramid; Chemistry; Density functional theory; Atom (system on chip); Transition metal; Molecule; Crystal structure; Electron; Computational chemistry; Physics","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":[0.00003957857,0.0001477976,0.0001513749,0.0001757932,0.0002319946,0.0003754792,0.0005570757,0.0001975335,0.003869009],"category_scores_gemma":[0.0001440528,0.0001141356,0.00008721901,0.0001144898,0.0003017362,0.0001764486,0.000240165,0.0002448287,0.0002589686],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006678161,"about_ca_system_score_gemma":0.0001526045,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003659726,"about_ca_topic_score_gemma":0.002723926,"domain_scores_codex":[0.9999676,0.000002819382,0.000001348117,0.000007349817,0.000009870707,0.00001105241],"domain_scores_gemma":[0.9999623,0.000009385746,0.000008356259,0.000003649858,0.000007456149,0.000008795811],"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":[0.00110381,0.00006665369,0.005442497,0.0002805037,0.00003518035,0.0003991947,0.0003480405,0.007027274,0.9641122,0.01050505,0.001153504,0.0095262],"study_design_scores_gemma":[0.0003040479,0.0007799785,0.03808589,0.00005740712,0.00008271239,0.0007611593,0.0009763367,0.09833273,0.8456711,0.006659698,0.008237268,0.00005175387],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956553,0.0001398211,0.0005929675,0.00004798941,0.000003346412,0.000003084059,0.0000947126,0.00004116634,0.003421613],"genre_scores_gemma":[0.9990953,0.00004236471,0.0002420922,0.00001106368,8.660815e-7,0.000003808757,0.0001369808,0.000007906873,0.0004596453],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003869009,"threshold_uncertainty_score":0.01294309,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00968247909260155,"score_gpt":0.1976633585878913,"score_spread":0.1879808794952897,"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."}}