{"id":"W2091208014","doi":"10.1021/ct800503d","title":"A Combined Charge and Energy Decomposition Scheme for Bond Analysis","year":2009,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":1879,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Valence (chemistry); Chemical bond; Covalent bond; Generalized valence bond; Valence electron; Bond energy; Single bond; Main group element; Computational chemistry; Bond order; Molecule; Bond length; Quantum mechanics; Transition metal; Physics; Group (periodic table); Electron; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005785259282040123,"score_gpt":0.2744004358615323,"score_spread":0.2686151765794922,"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."}}