Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution.
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| Title: | Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. |
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| Authors: | Katsyuba, Sergey A.1, skatsyuba@yahoo.com, Gerasimova, Tatiana P.1, Spicher, Sebastian2, Bohle, Fabian2, Grimme, Stefan2 |
| Source: | Journal of Computational Chemistry; 2/5/2022, Vol. 43 Issue 4, p279-288, 10p |
| Database: | Applied Science & Technology Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: aci DbLabel: Applied Science & Technology Source An: 154291482 AccessLevel: 2 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AU" term="%22Katsyuba%2C+Sergey+A%2E%22">Katsyuba, Sergey A.</searchLink><relatesTo>1</relatesTo>, <i>skatsyuba@yahoo.com</i><br /><searchLink fieldCode="AU" term="%22Gerasimova%2C+Tatiana+P%2E%22">Gerasimova, Tatiana P.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AU" term="%22Spicher%2C+Sebastian%22">Spicher, Sebastian</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Bohle%2C+Fabian%22">Bohle, Fabian</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AU" term="%22Grimme%2C+Stefan%22">Grimme, Stefan</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Computational+Chemistry%22">Journal of Computational Chemistry</searchLink>; 2/5/2022, Vol. 43 Issue 4, p279-288, 10p |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=aci&AN=154291482 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1002/jcc.26788 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 10 StartPage: 279 Titles: – TitleFull: Computer‐aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Katsyuba, Sergey A. – PersonEntity: Name: NameFull: Gerasimova, Tatiana P. – PersonEntity: Name: NameFull: Spicher, Sebastian – PersonEntity: Name: NameFull: Bohle, Fabian – PersonEntity: Name: NameFull: Grimme, Stefan IsPartOfRelationships: – BibEntity: Dates: – D: 05 M: 02 Text: 2/5/2022 Type: published Y: 2022 Identifiers: – Type: issn-print Value: 01928651 Numbering: – Type: volume Value: 43 – Type: issue Value: 4 Titles: – TitleFull: Journal of Computational Chemistry Type: main |
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