Opendata, web and dolomites

MulArEffect SIGNED

Theoretical description of the multifaceted aromaticity and resonance effects in the ground- and excited-state molecular systems

Total Cost €

0

EC-Contrib. €

0

Partnership

0

Views

0

 MulArEffect project word cloud

Explore the words cloud of the MulArEffect project. It provides you a very rough idea of what is the project "MulArEffect" about.

bearing    drug    eddb    back    serious    fragments    mechanisms    supramolecular    electronics    transistors    acquire    aromatics    resonance    applicability    description    physicochemical    flaws    quantification    gain    complexity    enzyme    rationalize    structure    discovery    perspective    functional    instrumental    computational    chemistry    professional    stabilization    bio    organic    effect    catalysts    global    experimental    eye    suffer    network    molecules    molecular    insights    regarding    understated    qualitative    power    countless    full    collaborative    maturity    multifaceted    understand    materials    interpretative    chemical    chemists    aromatic    macrocycles    provides    dramatically    aromaticity    bond    independence    local    phenomena    first    view    biology    bird    spin    size    species    catalysis    cuts    position    reasonable    agility    predictive    assemblies    mistiness    nanoscopic    photochemistry    reactivity    relatively    methodological   

Project "MulArEffect" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITAT DE GIRONA 

Organization address
address: PLACA SANT DOMENEC 3
city: GIRONA
postcode: 17004
website: www.udg.es

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Spain [ES]
 Total cost 158˙121 €
 EC max contribution 158˙121 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2017
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2018
 Duration (year-month-day) from 2018-10-01   to  2020-09-30

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITAT DE GIRONA ES (GIRONA) coordinator 158˙121.00

Map

 Project objective

Aromaticity and bond resonance are the key concepts in chemistry that rationalize the structure and reactivity of countless number of chemical species. Qualitative assessment of aromaticity and the resonance stabilization effects is crucial for understanding different phenomena in photochemistry, catalysis, organic electronics, supramolecular chemistry, molecular biology etc. However, the real predictive power of these concepts is still dramatically understated, since many of the currently used methods of aromaticity quantification suffer from serious methodological flaws, interpretative mistiness, and computational complexity, which cuts back their applicability to relatively simple molecules. Assessment of aromatic stabilization within the large-scale perspective regarding macrocycles, (bio)catalysts, functional materials, etc., is still a challenge for both experimental and computational chemists. The long-term goal of this project is to understand how aromaticity and different resonance effects determine the physicochemical properties in such systems. In the first goal of this proposal, we aim to develop a novel computational method called EDDB that provides both a detailed description of local aromaticity of selected molecular fragments as well as the bird's-eye view on the global aromaticity of nanoscopic-size molecules and assemblies at a reasonable computational cost. The second research goal of the proposal is to use the EDDB method to gain insights into the mechanisms of the resonance-driven phenomena in the multifaceted aromatics that are instrumental in the design of new catalysts, spin-bearing materials, organic field-effect transistors, etc. Applications in the field of enzyme design and drug discovery are also expected in the long-term. After the execution of this project, the applicant will acquire a wider perspective on the field, strongly enhance his collaborative network agility, and reach a position of full independence and professional maturity.

 Publications

year authors and title journal last update
List of publications.
2019 Dariusz W. Szczepanik, Miquel Solà
Electron Delocalization in Planar Metallacycles: Hückel or Möbius Aromatic?
published pages: 219-227, ISSN: 2191-1363, DOI: 10.1002/open.201900014
ChemistryOpen 8/2 2019-08-07

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "MULAREFFECT" project.

For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.

Send me an  email (fabio@fabiodisconzi.com) and I put them in your project's page as son as possible.

Thanks. And then put a link of this page into your project's website.

The information about "MULAREFFECT" are provided by the European Opendata Portal: CORDIS opendata.

More projects from the same programme (H2020-EU.1.3.2.)

TheaTheor (2018)

Theorizing the Production of 'Comedia Nueva': The Process of Play Configuration in Spanish Golden Age Theater

Read More  

DNANanoProbes (2019)

Design of light-harvesting DNA-nanoprobes with ratiometric signal amplification for fluorescence imaging of live cells.

Read More  

PmNC (2019)

Policy-making of early nature conservation. The Netherlands and the United Kingdom compared, 1930-1960

Read More