{"id":"W2005359521","doi":"10.1063/1.2806192","title":"Lactic acid in solution: Investigations of lactic acid self-aggregation and hydrogen bonding interactions with water and methanol using vibrational absorption and vibrational circular dichroism spectroscopies","year":2008,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":107,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Vibrational circular dichroism; Chemistry; Hydrogen bond; Polarizable continuum model; Density functional theory; Trimer; Methanol; Dimer; Circular dichroism; Infrared spectroscopy; Physical chemistry; Analytical Chemistry (journal); Crystallography; Computational chemistry; Molecule; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000181897,0.0003278586,0.0002513945,0.0001739338,0.0001930421,0.0002566044,0.0002738133,0.0003583941,0.0006926763],"category_scores_gemma":[0.0003534581,0.0001107604,0.0001473633,0.0003128794,0.0002370429,0.0003057454,0.0002421719,0.0003835943,0.0001482125],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001659479,"about_ca_system_score_gemma":0.0001046335,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007314849,"about_ca_topic_score_gemma":0.0004915536,"domain_scores_codex":[0.9998453,0.00003033142,0.000007640084,0.00004071058,0.000048043,0.00002797253],"domain_scores_gemma":[0.9998722,0.00004444511,0.00003077919,0.000005204012,0.000031239,0.00001619373],"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":[0.0000937034,0.00002940808,0.0007836432,0.00009548148,0.00001293623,0.00003541086,0.00005804454,0.0003922218,0.995379,0.00008285936,0.00002866114,0.003008608],"study_design_scores_gemma":[0.000014757,0.000399817,0.003791179,0.00001016772,0.0000204494,0.00009403234,0.0001422711,0.006395684,0.9879556,0.0000797,0.001082654,0.00001380308],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9947067,0.001640982,0.002509352,0.00005010043,0.00001250571,0.00002179623,0.0001200955,0.00001805881,0.0009204924],"genre_scores_gemma":[0.9950032,0.001112372,0.003193213,0.00003226284,0.0000120935,0.00002536944,0.0001419798,0.000005565586,0.0004740095],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007314849,"threshold_uncertainty_score":0.00231719,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01870740222471071,"score_gpt":0.2490812717258034,"score_spread":0.2303738695010926,"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."}}