المؤلفون: Clémence Corminboeuf, Sergi Vela

المصدر: Chemistry (Weinheim an Der Bergstrasse, Germany)
Chemistry – A European Journal

مصطلحات موضوعية: Photoisomerization, azo-based photoswitches, Quantum yield, 010402 general chemistry, trans–cis isomerization, 01 natural sciences, Catalysis, chemistry.chemical_compound, Molecular dynamics, Push pull, Full Paper, push–pull character, 010405 organic chemistry, Azo‐based Photoswitches, Organic Chemistry, General Chemistry, Full Papers, Conical intersection, azoheteroarene derivatives, 3. Good health, 0104 chemical sciences, Azobenzene, chemistry, Chemical physics, Excited state, conical intersection energies, Isomerization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::605218aad6f0a5b7c2215e943ffcb4bb
https://doi.org/10.1002/chem.202002321

المؤلفون: Jingbai Li (2868986), Rachel Stein (7511183), Daniel M. Adrion (11668956), Steven A. Lopez (1470454)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Genetics, Pharmacology, Evolutionary Biology, Sociology, Developmental Biology, Infectious Diseases, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, strained organic molecules, shell repulsions block, substituent groups destabilize, increasing steric bulk, conical intersection energies, 68 – 2, 2 ]- photocycloadditions, 15 %) match, 31 – 0, 03 – 0, predicted cubane yields, namd trajectories reveal, g ., methyl, conrotatory electrocyclic ring, 72 – 1, 2 ps ml

Relation: https://figshare.com/articles/dataset/Machine-Learning_Photodynamics_Simulations_Uncover_the_Role_of_Substituent_Effects_on_the_Photochemical_Formation_of_Cubanes/17033057

الاتاحة: https://doi.org/10.1021/jacs.1c07725.s001