{"id":"W2415581692","doi":"10.1038/srep23059","title":"Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions","year":2016,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Force Microscopy Techniques and Applications","field":"Physics and Astronomy","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada","keywords":"Mechanochemistry; Chemistry; Chemical reaction; Reaction coordinate; Transition state; Computational chemistry; Quantum chemical; Chemical physics; Quantum; Reaction mechanism; Photochemistry; Molecule; Catalysis; Physics; Organic chemistry; Quantum mechanics","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":[0.0004447734,0.0000721268,0.00007622165,0.00006765103,0.0002084644,0.0001317455,0.00009276858,0.00001806189,0.00001960435],"category_scores_gemma":[0.00003010361,0.00004157941,0.00003907696,0.0001848813,0.00009121389,0.00007884311,0.00003268637,0.00002805705,0.000001025073],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001206388,"about_ca_system_score_gemma":0.00002940194,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007459657,"about_ca_topic_score_gemma":0.000005480219,"domain_scores_codex":[0.9992266,0.00002060794,0.0001996007,0.0003099649,0.0001050575,0.000138222],"domain_scores_gemma":[0.9994032,0.0000605402,0.00007848658,0.0003591273,0.00006969454,0.00002900047],"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":[0.00000293339,0.00003889428,0.001075618,0.000005225661,0.000005004581,6.336832e-7,0.0002409882,0.000003036226,0.8890877,0.1050658,0.001186472,0.003287771],"study_design_scores_gemma":[0.00007049048,0.00004465273,0.0008148343,0.00006068542,0.000009855463,0.000003001764,0.0005701021,0.00002912805,0.7045441,0.2230361,0.07068532,0.0001316867],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8829963,0.000005588735,0.1146651,0.001327109,0.0001231673,0.0004700389,0.000006918747,0.00002094348,0.0003848443],"genre_scores_gemma":[0.9962315,9.211657e-7,0.002229659,0.00002948536,0.00001867497,0.0004259257,0.00001097242,0.000005760389,0.001047091],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1845435,"threshold_uncertainty_score":0.1695559,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01185229814104764,"score_gpt":0.261916012986951,"score_spread":0.2500637148459033,"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."}}