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http://hdl.handle.net/2445/155526
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DC Field | Value | Language |
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dc.contributor.author | Quapp, Wolfgang | - |
dc.contributor.author | Bofill i Villà, Josep M. | - |
dc.date.accessioned | 2020-04-16T11:17:03Z | - |
dc.date.available | 2020-04-16T11:17:03Z | - |
dc.date.issued | 2016-03-10 | - |
dc.identifier.issn | 1520-6106 | - |
dc.identifier.uri | http://hdl.handle.net/2445/155526 | - |
dc.description.abstract | The adiabatic potential energy surface (PES) is a basic concept of many theoretical chemistry models. Over the past several years, the phenomena of the action of a mechanical stress over a molecular system have motivated experimental and theoretical research. In a recent article, Avdoshenko and Makarov1 describe how the concepts of an effective PES and of a reaction path (RP), or a reaction coordinate, can be used for mechanochemistry. | - |
dc.format.extent | 2 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | American Chemical Society | - |
dc.relation.isformatof | Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpcb.5b12670 | - |
dc.relation.ispartof | Journal of Physical Chemistry B, 2016, vol. 120, num. 9, p. 2644-2645 | - |
dc.relation.uri | https://doi.org/10.1021/acs.jpcb.5b12670 | - |
dc.rights | (c) American Chemical Society , 2016 | - |
dc.source | Articles publicats en revistes (Química Inorgànica i Orgànica) | - |
dc.subject.classification | Química física | - |
dc.subject.classification | Reaccions químiques | - |
dc.subject.other | Physical and theoretical chemistry | - |
dc.subject.other | Chemical reactions | - |
dc.title | Comment on "reaction coordinates and pathways of mechanochemical transformations" | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/acceptedVersion | - |
dc.identifier.idgrec | 658132 | - |
dc.date.updated | 2020-04-16T11:17:03Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Química Inorgànica i Orgànica) |
Files in This Item:
File | Description | Size | Format | |
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658132.pdf | 159.54 kB | Adobe PDF | View/Open |
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