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From molecular crystals and organic polymers to chemisorption processes: Importance of local interactions
Author(s) -
Seel M.
Publication year - 1981
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560190617
Subject(s) - chemisorption , chemical physics , polymer , chemistry , cluster (spacecraft) , silicon , computational chemistry , materials science , organic chemistry , adsorption , computer science , programming language
Some aspects of studies on organic solids, polymers, and solid surfaces are discussed in connection with the suggestion that local interactions can constitute an important common feature of these quite different systems, which allows a common treatment of certain properties in cluster‐type calculations. The examples of molecular crystals, of the influence of different side groups bound to the backbone of a regular polypeptide, and of the interactions of fluorine and chlorine atoms with a silicon surface are treated in order to illustrate this thesis, with special emphasis on the reduction of a variety of bonding situations to local interactions rather than on details of computations.