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Accurate Modelling of Group Electrostatic Potential and Distributed Polarizability in Dipeptides
Author(s) -
Jabłuszewska Angelika,
Krawczuk Anna,
Dos Santos Leonardo H. R.,
Macchi Piero
Publication year - 2020
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202000774
Subject(s) - polarizability , macromolecule , group (periodic table) , chemical physics , electrostatics , chemistry , computational chemistry , materials science , molecule , organic chemistry , biochemistry
The Front Cover describes reconstruction of atomic and functional‐group electrostatic potentials and distributed polarizabilities in dipeptides. Such defined properties are transferable between similar systems and help predicting electric properties of macromolecules from their structural subunits. More information can be found in the Article by A. Krawczuk and co‐workers.