Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00471011" target="_blank" >RIV/68378271:_____/16:00471011 - isvavai.cz</a>

Alternative codes found

RIV/68407700:21340/16:00369804

Result on the web

<a href="http://dx.doi.org/10.1088/0957-4484/27/28/285202" target="_blank" >http://dx.doi.org/10.1088/0957-4484/27/28/285202</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/0957-4484/27/28/285202" target="_blank" >10.1088/0957-4484/27/28/285202</a>

Result language

angličtina

Original language name

Non-adiabatic molecular dynamic simulations of opening reaction of molecular junctions

Original language description

We report non-adiabatic molecular dynamic simulations of the ring opening reaction of diarylethene (DAE) derivative molecules, both free standing and embedded between gold electrodes. Simulations are performed by the surface hopping method employing density functional theory.n

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

<a href="/en/project/GA14-02079S" target="_blank" >GA14-02079S: Control of single electron charge states in molecules on surfaces</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2016

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Nanotechnology

ISSN

0957-4484

e-ISSN

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Volume of the periodical

27

Issue of the periodical within the volume

28

Country of publishing house

GB - UNITED KINGDOM

Number of pages

8

Pages from-to

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UT code for WoS article

000377503100011

EID of the result in the Scopus database

2-s2.0-84975057125