{"id":"W2014632014","doi":"10.1021/jp910205m","title":"Structure of Phenylalanine Adsorbed on Polystyrene from Nonlinear Vibrational Spectroscopy Measurements and Electronic Structure Calculations","year":2010,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"British Columbia Knowledge Development Fund","keywords":"Hyperpolarizability; Polystyrene; Adsorption; Spectroscopy; Phenylalanine; Chemistry; Materials science; Polarization (electrochemistry); Spectral line; Electronic structure; Polymer; Molecular physics; Molecule; Analytical Chemistry (journal); Computational chemistry; Physical chemistry; Amino acid; Organic chemistry; 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":[],"consensus_categories":[],"category_scores_codex":[0.00004872294,0.000173,0.0002878806,0.0000110586,0.00009984403,0.00001558833,0.0001982114,0.00004336701,0.0004603157],"category_scores_gemma":[0.00002224964,0.0001086427,0.0001057548,0.00008875587,0.0001276619,0.0000599194,0.00003589573,0.0006803037,5.570068e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002074672,"about_ca_system_score_gemma":0.00006743376,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003374345,"about_ca_topic_score_gemma":0.000005405875,"domain_scores_codex":[0.9990842,0.00002078286,0.0002561336,0.0001159195,0.0003358312,0.000187117],"domain_scores_gemma":[0.9992085,0.0001391024,0.0003075998,0.0001602269,0.0001105909,0.00007395291],"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":[0.0001146139,0.000111665,0.001172336,0.000006039116,0.0002003434,1.629009e-7,0.000112522,0.0001118013,0.9974293,0.0006273469,0.000050828,0.0000631091],"study_design_scores_gemma":[0.0005576946,0.00008274785,0.002217863,0.00001738292,0.0001230895,0.000002614612,0.00004789691,0.0004807853,0.9786107,0.01772615,0.00003453094,0.0000985715],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989085,0.00004665239,0.0002193459,0.000246717,0.00004190563,0.00004706349,0.000223276,0.000004212539,0.000262285],"genre_scores_gemma":[0.9976772,0.000001810487,0.0006117439,0.00002191803,0.001631041,3.999385e-7,0.00003853718,0.00001166636,0.000005698096],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01881856,"threshold_uncertainty_score":0.5040134,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006270858056904256,"score_gpt":0.2478149002047317,"score_spread":0.2415440421478275,"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."}}