{"id":"W4386250627","doi":"10.3390/app13179719","title":"Low-Frequency Vibrations of Saccharides Using Terahertz Time-Domain Spectroscopy and Ab-Initio Simulations","year":2023,"lang":"en","type":"article","venue":"Applied Sciences","topic":"Terahertz technology and applications","field":"Engineering","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institut National de la Recherche Scientifique","funders":"Consiglio Nazionale delle Ricerche","keywords":"Intermolecular force; Terahertz radiation; Terahertz time-domain spectroscopy; Intramolecular force; van der Waals force; Chemistry; Terahertz spectroscopy and technology; Density functional theory; Hydrogen bond; Spectroscopy; Molecular vibration; Molecular dynamics; Infrared spectroscopy; Molecular physics; Computational chemistry; Materials science; Molecule; Physics; Optoelectronics; Stereochemistry; Organic 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001132796,0.00008989957,0.0001086352,0.0001962674,0.000306626,0.00003402861,0.0001687366,0.0000600178,0.00006699134],"category_scores_gemma":[0.000009182834,0.00008856996,0.0000170478,0.0009423895,0.0003649757,0.000133217,0.00003072022,0.00007583795,0.0000475481],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001345388,"about_ca_system_score_gemma":0.00002356494,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005949039,"about_ca_topic_score_gemma":0.00001035832,"domain_scores_codex":[0.99936,0.000005475306,0.0001765605,0.0001724884,0.0001007274,0.0001847611],"domain_scores_gemma":[0.9996719,0.0001043734,0.00003250649,0.000147839,0.00001269248,0.00003066051],"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":[4.079448e-7,0.00000972079,0.0004539929,0.000009258048,0.00000736136,3.135463e-7,0.0001996392,0.005562015,0.9619348,0.03069625,0.0001009534,0.001025268],"study_design_scores_gemma":[0.000273047,0.00003984723,0.00426361,0.00003934295,0.00002494606,0.00000657078,0.0006041985,0.2143583,0.5875638,0.1918917,0.0005537549,0.0003809734],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9843433,0.00003961043,0.01056727,0.0001518105,0.00003564624,0.0001710027,0.00002859554,0.0004623034,0.004200476],"genre_scores_gemma":[0.9798259,0.00001481418,0.02006122,0.00002106097,0.00002186486,0.00002588773,0.000008421564,0.000009283614,0.00001157986],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3743711,"threshold_uncertainty_score":0.3611778,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01684147630234223,"score_gpt":0.2550871666032296,"score_spread":0.2382456903008873,"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."}}