{"id":"W1973511787","doi":"10.1063/1.2140269","title":"Microwave and <i>ab initio</i> studies of the Xe–CH4 van der Waals complex","year":2005,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Isotopomers; Atomic physics; van der Waals force; Ab initio; Chemistry; Quadrupole; Ab initio quantum chemistry methods; Coupled cluster; Basis set; Hyperfine structure; Van der Waals strain; Van der Waals molecule; Van der Waals radius; Physics; Spectral line; Computational chemistry; Quantum mechanics; Density functional theory; Molecule","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":[],"consensus_categories":[],"category_scores_codex":[0.0001100733,0.0001248878,0.0002765263,0.0000054966,0.00005931125,0.000009959196,0.0003029171,0.00005268777,0.00004421202],"category_scores_gemma":[0.00005381987,0.00006543292,0.000133633,0.00006178628,0.000304188,0.00005148226,0.0001079237,0.0003953082,6.492118e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002957285,"about_ca_system_score_gemma":0.00002527169,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":5.249464e-7,"about_ca_topic_score_gemma":3.864415e-7,"domain_scores_codex":[0.9992201,0.00003095597,0.000307619,0.00006446079,0.0002421893,0.000134681],"domain_scores_gemma":[0.9991477,0.0001341517,0.0003381047,0.0002107434,0.0001270664,0.00004230022],"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":[0.00005046649,0.00003430143,0.0000382928,0.00005370334,0.0001704987,0.000001102492,0.0006922345,0.00001767336,0.9954614,0.0004713279,0.00198331,0.001025699],"study_design_scores_gemma":[0.0003658612,0.00001141578,0.0000239616,0.00007088864,0.0001508714,0.00008470369,0.0001250806,0.00001884979,0.9696441,0.02788879,0.001543807,0.0000716453],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9936204,0.001898129,0.0001143353,0.00104285,0.00002989291,0.00002780546,0.000008921028,0.000004022337,0.003253641],"genre_scores_gemma":[0.9982011,0.0001908541,0.0005377681,0.0005363064,0.0004794368,3.338725e-7,0.000001361785,0.00001154676,0.0000412852],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02741746,"threshold_uncertainty_score":0.2668277,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02410061921751616,"score_gpt":0.283719684065633,"score_spread":0.2596190648481168,"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."}}