{"id":"W2144337095","doi":"10.1002/chem.201102715","title":"Transition Metal Hydrazide‐Based Hydrogen‐Storage Materials: the First Atoms‐In‐Molecules Analysis of the Kubas Interaction","year":2012,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":32,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Fuel Cell Technologies Program","keywords":"Vanadium; Molecule; Hydrogen storage; Ligand (biochemistry); Chemistry; Density functional theory; Hydrogen bond; Hydride; Atoms in molecules; Metal; Coordination sphere; Crystallography; Binding energy; Acceptor; Interaction energy; Enthalpy; Transition metal; Computational chemistry; Inorganic chemistry; Hydrogen; Thermodynamics; Atomic physics; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.002615387,0.0002273474,0.000373206,0.00008484588,0.0002933371,0.0001574215,0.0005870393,0.00004973234,0.002391123],"category_scores_gemma":[0.00009416723,0.0001394564,0.0003199259,0.0004364226,0.0001531226,0.0003195159,0.00008250531,0.0002160467,0.00006413848],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001003543,"about_ca_system_score_gemma":0.00004479235,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001696371,"about_ca_topic_score_gemma":0.000005439226,"domain_scores_codex":[0.9975584,0.0007332795,0.0007384167,0.0002139538,0.0003709283,0.0003850628],"domain_scores_gemma":[0.9987127,0.0000599045,0.0005759966,0.0004613642,0.00006921084,0.0001208079],"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":[0.00006623941,0.000112636,0.00009694794,0.0000414233,0.000111798,0.00003897687,0.0007897068,0.001651378,0.9969389,0.00000353928,0.00009706932,0.00005139871],"study_design_scores_gemma":[0.0003419098,0.00001597199,0.00104071,0.00007506772,0.000596117,0.0001750243,0.0002073738,0.0005690107,0.9936974,0.000005699215,0.003108749,0.0001669702],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979131,0.0001765263,0.0004494538,0.0002577569,0.0005709444,0.0001045524,0.00006799917,0.00002398764,0.000435687],"genre_scores_gemma":[0.9991977,0.00001200933,0.000067566,0.000199509,0.0004171277,0.000006043643,0.00001875827,0.00003176958,0.00004957826],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003241491,"threshold_uncertainty_score":0.9985209,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01614691442328719,"score_gpt":0.2364368953720943,"score_spread":0.2202899809488071,"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."}}