المؤلفون: Zhi-Xin Qin (7900934), Matthew Tremblay (9303362), Xin Hong (95011), Zhongyue J. Yang (11437471)

مصطلحات موضوعية: Biophysics, Neuroscience, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, using cyclopentadiene dimerization, potential energy drop, free energy minimum, flat energy region, enhanced conformational flexibility, cyclopentadiene dimerization involves, approach product formation, reacting species enter, reacting species along, entropic path sampling, molecular dynamics trajectories, involve entropic intermediates, entropy maximum along, computational protocol known, reaction path based, reacting species, entropy maximum, computational protocol, reaction path, entropic variation, intermediates form, dynamic intermediates

Relation: https://figshare.com/articles/journal_contribution/Entropic_Path_Sampling_Computational_Protocol_to_Evaluate_Entropic_Profile_along_a_Reaction_Path/16900014

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03116.s001