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Formation of glycine from HCN and H2O: A computational mechanistic study
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lee, Hyun Moo | - |
| dc.contributor.author | Choe, Joong Chul | - |
| dc.date.accessioned | 2024-09-25T02:31:02Z | - |
| dc.date.available | 2024-09-25T02:31:02Z | - |
| dc.date.issued | 2017-05 | - |
| dc.identifier.issn | 0009-2614 | - |
| dc.identifier.issn | 1873-4448 | - |
| dc.identifier.uri | https://scholarworks.dongguk.edu/handle/sw.dongguk/23303 | - |
| dc.description.abstract | The potential energy surfaces for the formation of glycine from HCN and H2O were determined from CBS-QB3 calculations. After the formation of a HCN trimer, amino malononitrile, amino malononitrile mono amide (3) was formed by a water addition reaction. Two pathways were found for the subsequent reaction, 3 + 2H(2)O -> glycine + HNCO + NH3. One pathway involving an amino ketone was much more favored than the other pathway involving glycinamide. Addition of a water molecule as a catalyst greatly enhanced steps occurring by hydrogen rearrangement. (C) 2017 Elsevier B.V. All rights reserved. | - |
| dc.format.extent | 5 | - |
| dc.language | 영어 | - |
| dc.language.iso | ENG | - |
| dc.publisher | ELSEVIER SCIENCE BV | - |
| dc.title | Formation of glycine from HCN and H2O: A computational mechanistic study | - |
| dc.type | Article | - |
| dc.publisher.location | 네델란드 | - |
| dc.identifier.doi | 10.1016/j.cplett.2017.02.079 | - |
| dc.identifier.scopusid | 2-s2.0-85014469684 | - |
| dc.identifier.wosid | 000400200800002 | - |
| dc.identifier.bibliographicCitation | CHEMICAL PHYSICS LETTERS, v.675, pp 6 - 10 | - |
| dc.citation.title | CHEMICAL PHYSICS LETTERS | - |
| dc.citation.volume | 675 | - |
| dc.citation.startPage | 6 | - |
| dc.citation.endPage | 10 | - |
| dc.type.docType | Article | - |
| dc.description.isOpenAccess | N | - |
| dc.description.journalRegisteredClass | sci | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.relation.journalResearchArea | Chemistry | - |
| dc.relation.journalResearchArea | Physics | - |
| dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
| dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
| dc.subject.keywordPlus | SET MODEL CHEMISTRY | - |
| dc.subject.keywordPlus | AMINO ACETONITRILE | - |
| dc.subject.keywordPlus | AB-INITIO | - |
| dc.subject.keywordPlus | INTERSTELLAR-MEDIUM | - |
| dc.subject.keywordPlus | HYDROGEN-CYANIDE | - |
| dc.subject.keywordPlus | ACID | - |
| dc.subject.keywordPlus | PRECURSORS | - |
| dc.subject.keywordAuthor | Reaction pathway | - |
| dc.subject.keywordAuthor | CBS calculation | - |
| dc.subject.keywordAuthor | Prebiotic chemistry | - |
| dc.subject.keywordAuthor | Astrophysics | - |
| dc.subject.keywordAuthor | Astrobiology | - |
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Related Researcher
- Choe, Joong Chul
- College of Natural Science (Department of Chemistry)