Proton affinity and proton transfer energy for selected organic molecules

T. Wroblewski; Leszek Ziemczonek; K. Szerement; G.p. Karwasz

doi:10.1117/12.629524

Proton affinity and proton transfer energy for selected organic molecules

Abstract

The Hartree-Fock method in 6-311G** molecular orbitals basis set has been applied to calculations of proton affinities and proton transfer reaction energies for water, methanol, acetaldehyde, ethanol, acetone, acetic acid, methyl acetate and ethyl acetate.

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Authors (4)

T. Wroblewski
- Akademia Pomorska w Słupsku .
Leszek Ziemczonek dr
- Pomeranian Pedagogical Academy .
K. Szerement
- Akademia Pomorska w Słupsku .
G.p. Karwasz
- Akademia Pomorska w Słupsku .

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Details

Category:: Conference activity
Type:: publikacja w wydawnictwie zbiorowym recenzowanym (także w materiałach konferencyjnych)
Title of issue:: Fifth Workshop on Atomic and Molecular Physics strony 246 - 249
Language:: English
Publication year:: 2005
Bibliographic description:: Wroblewski T., Ziemczonek L., Szerement K., Karwasz G.: Proton affinity and proton transfer energy for selected organic molecules// Fifth Workshop on Atomic and Molecular Physics/ ed. Wasowicz Tomasz J. : , 2005, s.246-249
DOI:: Digital Object Identifier (open in new tab) 10.1117/12.629524
Verified by:: Gdańsk University of Technology