{"id":"W1965104791","doi":"10.1021/jp031273u","title":"Inter- and Intramolecular Temperature-Dependent Vibrational Perturbations of Alkanethiol Self-Assembled Monolayers","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke","funders":"","keywords":"Intramolecular force; Monolayer; Intermolecular force; Rotational–vibrational coupling; Chemistry; Molecular vibration; Wavenumber; Adsorption; Infrared spectroscopy; Methylene; Frequency shift; Deuterium; Infrared; Normal mode; Coupling (piping); Chemical physics; Molecular physics; Analytical Chemistry (journal); Materials science; Molecule; Vibration; Physical chemistry; Atomic physics; Stereochemistry; Organic chemistry; Optics","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":[0.00007835005,0.0001617363,0.0001053415,0.0001485937,0.0001250251,0.0001440011,0.0001402506,0.000124524,0.0009958545],"category_scores_gemma":[0.000152459,0.0001368346,0.00009370961,0.00009880125,0.0002015628,0.0001721022,0.0001050956,0.000234659,0.0001132387],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001401573,"about_ca_system_score_gemma":0.00005890101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004153718,"about_ca_topic_score_gemma":0.0006393114,"domain_scores_codex":[0.9999429,0.000006422521,0.000002620273,0.00001004269,0.00002286473,0.00001517828],"domain_scores_gemma":[0.9999239,0.00002070252,0.00001813091,0.000005780664,0.00001735543,0.00001407162],"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":[0.00003127355,0.000004662143,0.0001375694,0.000008741736,0.000002146658,0.0000112144,0.00001778433,0.00004838737,0.9994566,0.00001790022,0.000003856032,0.0002600296],"study_design_scores_gemma":[0.000005515908,0.00008873185,0.005606264,0.000002616344,0.000007019926,0.0000313377,0.00004104044,0.001147186,0.9928755,0.00001732027,0.0001739608,0.000003579592],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9993402,0.00009570362,0.00023627,0.000006164501,0.000002733653,0.000001763966,0.00001906081,0.000006900972,0.0002911469],"genre_scores_gemma":[0.9989715,0.0001026284,0.0003613789,0.00000834618,0.000001984175,0.00000475517,0.00006030118,0.000007233363,0.0004818781],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009958545,"threshold_uncertainty_score":0.003331423,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002754669892788678,"score_gpt":0.1895432560027353,"score_spread":0.1867885861099466,"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."}}