{"id":"W1978159144","doi":"10.1021/ja035252p","title":"Ne<sub>3</sub>−NH<sub>3</sub> van der Waals Tetramer:  Rotational Spectra and ab Initio Study of the Microsolvation of NH<sub>3</sub> with Rare Gas Atoms","year":2003,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Isotopomers; van der Waals force; Tetramer; Ab initio; Ab initio quantum chemistry methods; Hyperfine structure; Molecular geometry; Rotational spectroscopy; Atomic physics; Computational chemistry; Crystallography; Molecule; Physics","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003597608,0.0004707283,0.0008713978,0.0000402882,0.0002644574,0.00006642586,0.0006367912,0.0001967474,0.00003049217],"category_scores_gemma":[0.0002285746,0.0003062814,0.0006896015,0.0007155092,0.0009885707,0.0001682315,0.0001341145,0.001298118,9.247956e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002630972,"about_ca_system_score_gemma":0.0003378412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001314627,"about_ca_topic_score_gemma":0.000008504379,"domain_scores_codex":[0.9967158,0.0001805574,0.001027488,0.0004320898,0.001153068,0.0004909612],"domain_scores_gemma":[0.9963884,0.0002434191,0.002161878,0.0005895945,0.0004178429,0.0001988421],"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":[0.0002210393,0.0004329388,0.01079692,0.0001026334,0.000663331,0.000008202322,0.001430094,0.00009584305,0.984373,0.00005331244,0.0006791924,0.001143465],"study_design_scores_gemma":[0.001788959,0.000240968,0.006714289,0.000185593,0.0004123709,0.0002531714,0.002210443,0.00004743403,0.9867482,0.001005203,0.00005633807,0.000337078],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983265,0.0002795469,0.0002777769,0.0004612266,0.00009204443,0.0002817755,0.00005017146,0.00001761761,0.0002132749],"genre_scores_gemma":[0.9978244,0.0002842506,0.001091549,0.0005043423,0.0002078053,0.00001145453,0.000008188908,0.00006355617,0.000004438057],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004082634,"threshold_uncertainty_score":0.9999389,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005161727623221093,"score_gpt":0.2192927528424797,"score_spread":0.2141310252192586,"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."}}