Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic.
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| Title: | Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic. |
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| Authors: | Walker, Martin1, Sen, Ananya1, Harvey, Andrew J.A.1, Dessent, Caroline E.H.1 caroline.dessent@york.ac.uk |
| Source: | Chemical Physics Letters. Nov2013, Vol. 588, p43-46. 4p. |
| Subjects: | Complexation reactions, Gas phase reactions, Amino acids, Zwitterions, Comparative studies, Tautomerism |
| Abstract: | Highlights: [•] Br− can stabilize the zwitterionic form of arginine in an isolated cluster. [•] Zwitterionic and canonical minima are very close in energy for Br−·Arg. [•] The canonical tautomer is lower in energy for the Cl−·Arg cluster. [•] Conformation is crucial in determining canonical vs zwitterion relative energies. [•] Comparison to experiment suggests that messenger tagged IR experiments are vital. [ABSTRACT FROM AUTHOR] |
| Copyright of Chemical Physics Letters is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 91867336 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.cplett.2013.09.074 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 4 StartPage: 43 Subjects: – SubjectFull: Complexation reactions Type: general – SubjectFull: Gas phase reactions Type: general – SubjectFull: Amino acids Type: general – SubjectFull: Zwitterions Type: general – SubjectFull: Comparative studies Type: general – SubjectFull: Tautomerism Type: general Titles: – TitleFull: Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Walker, Martin – PersonEntity: Name: NameFull: Sen, Ananya – PersonEntity: Name: NameFull: Harvey, Andrew J.A. – PersonEntity: Name: NameFull: Dessent, Caroline E.H. IsPartOfRelationships: – BibEntity: Dates: – D: 19 M: 11 Text: Nov2013 Type: published Y: 2013 Identifiers: – Type: issn-print Value: 00092614 Numbering: – Type: volume Value: 588 Titles: – TitleFull: Chemical Physics Letters Type: main |
| ResultId | 1 |
