Please use this identifier to cite or link to this item:
Title: Comment on "reaction coordinates and pathways of mechanochemical transformations"
Author: Quapp, Wolfgang
Bofill i Villà, Josep M.
Keywords: Química física
Reaccions químiques
Physical and theoretical chemistry
Chemical reactions
Issue Date: 10-Mar-2016
Publisher: American Chemical Society
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.
Note: Versió postprint del document publicat a:
It is part of: Journal of Physical Chemistry B, 2016, vol. 120, num. 9, p. 2644-2645
Related resource:
ISSN: 1520-6106
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

Files in This Item:
File Description SizeFormat 
658132.pdf159.54 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.