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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Singh, NJ | - |
| dc.contributor.author | Olleta, AC | - |
| dc.contributor.author | Kumar, A | - |
| dc.contributor.author | Park, M | - |
| dc.contributor.author | Yi, HB | - |
| dc.contributor.author | B | - |
| dc.contributor.author | yopadhyay, I | - |
| dc.contributor.author | Lee, HM | - |
| dc.contributor.author | Tarakeshwar, P | - |
| dc.contributor.author | Kim, KS | - |
| dc.date.accessioned | 2016-04-01T01:59:08Z | - |
| dc.date.available | 2016-04-01T01:59:08Z | - |
| dc.date.created | 2009-03-20 | - |
| dc.date.issued | 2006-03 | - |
| dc.identifier.issn | 1432-881X | - |
| dc.identifier.other | 2006-OAK-0000005759 | - |
| dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/24151 | - |
| dc.description.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. | - |
| dc.description.statementofresponsibility | X | - |
| dc.language | English | - |
| dc.publisher | SPRINGER | - |
| dc.relation.isPartOf | THEORETICAL CHEMISTRY ACCOUNTS | - |
| dc.subject | CATION-PI INTERACTIONS | - |
| dc.subject | RELATIVISTIC EFFECTIVE POTENTIALS | - |
| dc.subject | DENSITY-FUNCTIONAL THEORY | - |
| dc.subject | SPIN-ORBIT OPERATORS | - |
| dc.subject | GAUSSIAN-BASIS SETS | - |
| dc.subject | ALKALI-METAL IONS | - |
| dc.subject | AB-INITIO | - |
| dc.subject | WATER CLUSTERS | - |
| dc.subject | AQUEOUS-SOLUTION | - |
| dc.subject | GAS-PHASE | - |
| dc.title | Study of interactions of various ionic species with solvents toward the design of receptors | - |
| dc.type | Article | - |
| dc.contributor.college | 화학과 | - |
| dc.identifier.doi | 10.1007/S00214-005-0 | - |
| dc.author.google | Singh, NJ | - |
| dc.author.google | Olleta, AC | - |
| dc.author.google | Kumar, A | - |
| dc.author.google | Park, M | - |
| dc.author.google | Yi, HB | - |
| dc.author.google | Bandyopadhyay, I | - |
| dc.author.google | Lee, HM | - |
| dc.author.google | Tarakeshwar, P | - |
| dc.author.google | Kim, KS | - |
| dc.relation.volume | 115 | - |
| dc.relation.issue | 2-3 | - |
| dc.relation.startpage | 127 | - |
| dc.relation.lastpage | 135 | - |
| dc.contributor.id | 10051563 | - |
| dc.relation.journal | THEORETICAL CHEMISTRY ACCOUNTS | - |
| dc.relation.index | SCI급, SCOPUS 등재논문 | - |
| dc.relation.sci | SCI | - |
| dc.collections.name | Journal Papers | - |
| dc.type.rims | ART | - |
| dc.identifier.bibliographicCitation | THEORETICAL CHEMISTRY ACCOUNTS, v.115, no.2-3, pp.127 - 135 | - |
| dc.identifier.wosid | 000235887500006 | - |
| dc.date.tcdate | 2019-01-01 | - |
| dc.citation.endPage | 135 | - |
| dc.citation.number | 2-3 | - |
| dc.citation.startPage | 127 | - |
| dc.citation.title | THEORETICAL CHEMISTRY ACCOUNTS | - |
| dc.citation.volume | 115 | - |
| dc.contributor.affiliatedAuthor | Tarakeshwar, P | - |
| dc.description.journalClass | 1 | - |
| dc.description.journalClass | 1 | - |
| dc.description.wostc | 45 | - |
| dc.type.docType | Review | - |
| dc.subject.keywordPlus | CATION-PI INTERACTIONS | - |
| dc.subject.keywordPlus | RELATIVISTIC EFFECTIVE POTENTIALS | - |
| dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
| dc.subject.keywordPlus | SPIN-ORBIT OPERATORS | - |
| dc.subject.keywordPlus | GAUSSIAN-BASIS SETS | - |
| dc.subject.keywordPlus | AB-INITIO | - |
| dc.subject.keywordPlus | WATER CLUSTERS | - |
| dc.subject.keywordPlus | GAS-PHASE | - |
| dc.subject.keywordPlus | AQUEOUS-SOLUTION | - |
| dc.subject.keywordPlus | EXCESS ELECTRON | - |
| dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.relation.journalResearchArea | Chemistry | - |
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