المؤلفون: Wesley Michaels (8605653), Yan Zhao (58882), Jian Qin (34092)

مصطلحات موضوعية: Biophysics, Medicine, Biotechnology, Cancer, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, aromatic-to-quinoid transition PEDO., inter-monomer dihedral potentials, torsional barriers, Force Field Parameterization, vacuum MD simulations show, polymer, all-atom force fields, Generalized AMBER Force Field, optimized force fields, probe film microstructure, training data, II, GAFF

Relation: https://figshare.com/articles/journal_contribution/Atomistic_Modeling_of_PEDOT_PSS_Complexes_II_Force_Field_Parameterization/14766560

الاتاحة: https://doi.org/10.1021/acs.macromol.1c00860.s002

المؤلفون: Wesley Michaels (8605653), Yan Zhao (58882), Jian Qin (34092)

مصطلحات موضوعية: Biophysics, Medicine, Biotechnology, Cancer, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, aromatic-to-quinoid transition PEDO., inter-monomer dihedral potentials, torsional barriers, Force Field Parameterization, vacuum MD simulations show, polymer, all-atom force fields, Generalized AMBER Force Field, optimized force fields, probe film microstructure, training data, II, GAFF

Relation: https://figshare.com/articles/dataset/Atomistic_Modeling_of_PEDOT_PSS_Complexes_II_Force_Field_Parameterization/14766557

الاتاحة: https://doi.org/10.1021/acs.macromol.1c00860.s001