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- W2000994025 abstract "Ab initio supermolecule calculations have been performed for the glyoxal–formamide and for the H2S–formamide charge transfer complexes in their ground states. According to the results obtained with Mulliken's population analysis, glyoxal acts always as an electron acceptor against formamide which we have used as model compound for a peptide group. The results indicate also that the amount of transferred charge depends strongly on the intermolecular distance and on the relative orientation of the molecular planes. On the other hand we have found that H2S against our expectation acts at most relative geometrical positions as an electron acceptor with respect to formamidc." @default.
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- W2000994025 date "2009-06-18" @default.
- W2000994025 modified "2023-10-12" @default.
- W2000994025 title "Ab initio supermolecule study of charge transfer in the glyoxal-formamide and in the H2S-formamide systems" @default.
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- W2000994025 doi "https://doi.org/10.1002/qua.560120740" @default.
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