{"id":"W3187890776","doi":"10.3390/ijms22158250","title":"A Facile Strategy to Prepare Small Water Clusters via Interacting with Functional Molecules","year":2021,"lang":"en","type":"article","venue":"International Journal of Molecular Sciences","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"PetroChina Innovation Foundation; National Natural Science Foundation of China","keywords":"Aqueous solution; Cluster (spacecraft); Molecule; Molecular dynamics; Density functional theory; Chemical physics; Chemistry; Corrosion; Water chemistry; Nanotechnology; Computational chemistry; Materials science; Physical chemistry; Organic chemistry; Computer science; Environmental chemistry","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":[0.00009614338,0.0004940199,0.0001748774,0.0001590547,0.0001712355,0.0001281798,0.0003731473,0.0003804218,0.0009793544],"category_scores_gemma":[0.00013743,0.000189963,0.0002318606,0.00009650648,0.0002260844,0.0003944036,0.0003618854,0.0004610276,0.0003326084],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001498004,"about_ca_system_score_gemma":0.0001556332,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003926638,"about_ca_topic_score_gemma":0.0006066941,"domain_scores_codex":[0.9999275,0.000008163998,0.000004875588,0.00002327737,0.00001707027,0.00001913745],"domain_scores_gemma":[0.9999614,0.0000076571,0.00001003243,0.000005515565,0.000006908588,0.000008499062],"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":[0.00002254483,0.00002540914,0.00005212489,0.0000938154,0.000006136845,0.0000472607,0.00002951329,0.0002802056,0.9954517,0.0005652205,0.0001407176,0.003285286],"study_design_scores_gemma":[0.00001368788,0.000214365,0.00021,0.000003019222,0.000008074488,0.0000575608,0.00001002251,0.00168799,0.9950141,0.0001002897,0.00267192,0.000008990826],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9200723,0.002131604,0.07035493,0.0005017383,0.0001292794,0.000281923,0.0002641573,0.0005453373,0.00571881],"genre_scores_gemma":[0.9710472,0.0008127876,0.02501594,0.0001459719,0.00001819358,0.0001728296,0.0001531961,0.0000382346,0.002595641],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009793544,"threshold_uncertainty_score":0.003276289,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01757001637226661,"score_gpt":0.2756906620854762,"score_spread":0.2581206457132096,"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."}}