Configurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented. Influence of choice of the molecular basis set is also discussed. Only such systematic studies allow to explain values observed experimentally, for example in electron attachment experiments on formic acid [1].
Authors
- dr Leszek Ziemczonek link open in new tab ,
- T. Wróblewski
Additional information
- DOI
- Digital Object Identifier link open in new tab 10.1140/epjst/e2007-00137-4
- Category
- Publikacja w czasopiśmie
- Type
- artykuł w czasopiśmie wyróżnionym w JCR
- Language
- angielski
- Publication year
- 2007
