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Three-Dimensional Mapping Of a Single Hydrogen Bond

Total Cost €


EC-Contrib. €






 3DMOSHBOND project word cloud

Explore the words cloud of the 3DMOSHBOND project. It provides you a very rough idea of what is the project "3DMOSHBOND" about.

resolution    potentials    interaction    indirectly    poorly    definition    changed    hydrogen    create    engage    creation    position    interactions    hitherto    sub    clear    single    molecular    oriented    functional    force    dft    generalised    tip    investigation    microscope    relevance    shift    paradigm    highlighting    place    unparalleled    governing    initio    layer    biologically    ab    atomic    proof    simulations    density    map    direct    interatomic    groups    characterisation    ultimately    vertically    strength    scanning    outline    complementary    regarding    variety    experimental    imaging    designed    all    bond    complete    atoms    governed    reproduce    molecules    accuracy    2011    techniques    3d    functionalisation    reimagining    junction    unprecedented    despite    magnitude    molecule    power    intermolecular    bonding    fundamental    3dmoshbond    demonstration    shape    forces    relatively    theory    precision    iupac    probe    angstrom    critical   

Project "3DMOSHBOND" data sheet

The following table provides information about the project.


Organization address
city: LEEDS
postcode: LS2 9JT

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 United Kingdom [UK]
 Total cost 1˙971˙468 €
 EC max contribution 1˙971˙468 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2017-STG
 Funding Scheme ERC-STG
 Starting year 2018
 Duration (year-month-day) from 2018-01-01   to  2022-12-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY OF LEEDS UK (LEEDS) coordinator 1˙971˙468.00


 Project objective

All properties of matter are ultimately governed by the forces between single atoms, but our knowledge of interatomic, and intermolecular, potentials is often derived indirectly.

In 3DMOSHBOND, I outline a program of work designed to create a paradigm shift in the direct measurement of complex interatomic potentials via a fundamental reimagining of how atomic resolution imaging, and force measurement, techniques are applied.

To provide a clear proof of principle demonstration of the power of this concept, I propose to map the strength, shape and extent of single hydrogen bonding (H-bonding) interactions in 3D with sub-Angstrom precision. H-bonding is a key component governing intermolecular interactions, particularly for biologically important molecules. Despite its critical importance, H-bonding is relatively poorly understood, and the IUPAC definition of the H-bond was changed as recently as 2011- highlighting the relevance of a new means to engage with these fundamental interactions.

Hitherto unprecedented resolution and accuracy will be achieved via a creation of a novel layer of vertically oriented H-bonding molecules, functionalisation of the tip of a scanning probe microscope with a single complementary H-bonding molecule, and by complete characterisation of the position of all atoms in the junction. This will place two H-bonding groups “end on” and map the extent, and magnitude, of the H-bond with sub-Angstrom precision for a variety of systems. This investigation of the H-bond will present us with an unparalleled level of information regarding its properties.

Experimental results will be compared with ab initio density functional theory (DFT) simulations, to investigate the extent to which state-of-the-art simulations are able to reproduce the behaviour of the H-bonding interaction. The project will create a new generalised probe for the study of single atomic and molecular interactions.

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The information about "3DMOSHBOND" are provided by the European Opendata Portal: CORDIS opendata.

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