Study of interactions of various ionic species with solvents toward the design of receptors
SCIE
SCOPUS
- Title
- Study of interactions of various ionic species with solvents toward the design of receptors
- Authors
- Singh, NJ; Olleta, AC; Kumar, A; Park, M; Yi, HB; B; yopadhyay, I; Lee, HM; Tarakeshwar, P; Kim, KS
- Date Issued
- 2006-03
- Publisher
- SPRINGER
- Abstract
- In earlier studies, the interactions of isolated ionic species with various solvents were investigated using ab initio calculations. The ionic species investigated included cations (proton, hydronium, ammonium, and metal cations) and anions (single electron, hydroxide, and halide anions). However in the present study, we investigate the interactions of these ionic species with the solvent in the presence of other competing ionic species. We also elaborate on how the information obtained from these extensive studies have been employed in designing and synthesizing various kinds of novel ionophores and receptors.
- Keywords
- CATION-PI INTERACTIONS; RELATIVISTIC EFFECTIVE POTENTIALS; DENSITY-FUNCTIONAL THEORY; SPIN-ORBIT OPERATORS; GAUSSIAN-BASIS SETS; ALKALI-METAL IONS; AB-INITIO; WATER CLUSTERS; AQUEOUS-SOLUTION; GAS-PHASE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/24151
- DOI
- 10.1007/S00214-005-0
- ISSN
- 1432-881X
- Article Type
- Article
- Citation
- THEORETICAL CHEMISTRY ACCOUNTS, vol. 115, no. 2-3, page. 127 - 135, 2006-03
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- There are no files associated with this item.
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