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DC Field | Value | Language |
---|---|---|
dc.citation.endPage | 633 | - |
dc.citation.number | 8 | - |
dc.citation.startPage | 622 | - |
dc.citation.title | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | - |
dc.citation.volume | 116 | - |
dc.contributor.author | Tehrani, Zahra Aliakbar | - |
dc.contributor.author | Kim, Kwang S. | - |
dc.date.accessioned | 2023-12-22T00:06:29Z | - |
dc.date.available | 2023-12-22T00:06:29Z | - |
dc.date.created | 2016-04-04 | - |
dc.date.issued | 2016-04 | - |
dc.description.abstract | The intermolecular and intramolecular noncovalent interactions involving -aromatic compounds have attracted increasing attention over the last decades in chemistry, biology and material sciences. In this review, we discuss contemporary computational studies on the nature and strength of H-, -, and anion- interactions. We emphasize how modern quantum theoretical approaches ahead of experiment can provide insight into the design of new materials and devices by tuning the -interactions in cooperative and competitive manners. Usefulness of such approaches towards designing new materials is demonstrated with some examples of molecular recognition/sensing, self-assembly/engineering, receptors, catalysts, supramolecules, graphene, and other two-dimensional (2D) materials/devices. | - |
dc.identifier.bibliographicCitation | INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.622 - 633 | - |
dc.identifier.doi | 10.1002/qua.25109 | - |
dc.identifier.issn | 0020-7608 | - |
dc.identifier.scopusid | 2-s2.0-84975726378 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/18916 | - |
dc.identifier.url | http://onlinelibrary.wiley.com/doi/10.1002/qua.25109/abstract;jsessionid=EE641D03293BC15E03A9441D076E0F60.f04t01 | - |
dc.identifier.wosid | 000371686200008 | - |
dc.language | 영어 | - |
dc.publisher | WILEY-BLACKWELL | - |
dc.title | Functional molecules and materials by -Interaction based quantum theoretical design | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Mathematics, Interdisciplinary Applications; Quantum Science & Technology; Physics, Atomic, Molecular & Chemical | - |
dc.relation.journalResearchArea | Chemistry; Mathematics; Physics | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | noncovalent interaction | - |
dc.subject.keywordAuthor | H- interaction | - |
dc.subject.keywordAuthor | - interaction | - |
dc.subject.keywordAuthor | anion- interaction | - |
dc.subject.keywordAuthor | molecular recognition | - |
dc.subject.keywordPlus | ANION-PI INTERACTIONS | - |
dc.subject.keywordPlus | AROMATIC STACKING INTERACTIONS | - |
dc.subject.keywordPlus | POTENTIAL-ENERGY SURFACE | - |
dc.subject.keywordPlus | CATION-PI | - |
dc.subject.keywordPlus | BENZENE DIMER | - |
dc.subject.keywordPlus | CCSD(T) CALCULATIONS | - |
dc.subject.keywordPlus | ELECTRON-DEFICIENT | - |
dc.subject.keywordPlus | QUADRUPOLE-MOMENT | - |
dc.subject.keywordPlus | GRAPHENE-OXIDE | - |
dc.subject.keywordPlus | AB-INITIO | - |
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