Laboratoire de Chimie et Physique Quantiques View Homepage


Ontology type: grid:Facility  | foaf:Organization     


Organization Info

NAME

Laboratoire de Chimie et Physique Quantiques

HOMEPAGE

http://www.lcpq.ups-tlse.fr/?lang=en

ADDRESS

http://www.grid.ac/institutes/grid.494623.e/address-0

Publications in SciGraph latest 20 shown

  • 2018-12 Transient metal-centered states mediate isomerization of a photochromic ruthenium-sulfoxide complex in NATURE COMMUNICATIONS
  • 2018-07 Model-independent determinations of the electron EDM and the role of diamagnetic atoms in JOURNAL OF HIGH ENERGY PHYSICS
  • 2018-03 DFT rationalization of the room-temperature luminescence properties of Ru(bpy)32+ and Ru(tpy)22+: 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations in THEORETICAL CHEMISTRY ACCOUNTS
  • 2017-03 Metadynamics combined with auxiliary density functional and density functional tight-binding methods: alanine dipeptide as a case study in JOURNAL OF MOLECULAR MODELING
  • 2017-02 Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex in JOURNAL OF MOLECULAR MODELING
  • 2016-12-08 Engineering the magnetic coupling and anisotropy at the molecule–magnetic surface interface in molecular spintronic devices in NATURE COMMUNICATIONS
  • 2016-11 Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes? in JOURNAL OF MOLECULAR MODELING
  • 2016-11 Structure and stability of Na+Xen clusters in THE EUROPEAN PHYSICAL JOURNAL D
  • 2016-07 Perturbation theory of quantum resonances in THEORETICAL CHEMISTRY ACCOUNTS
  • 2016-01 Thermolysis biradical mechanisms in endoperoxides: A challenge for density functional theory? in THEORETICAL CHEMISTRY ACCOUNTS
  • 2012-09 Efficient calculation of the polarizability: a simplified effective-energy technique in THE EUROPEAN PHYSICAL JOURNAL B
  • 2012-03 Is the dynamical polarization a significant part of the contribution of the triples to the correlation energy? in THEORETICAL CHEMISTRY ACCOUNTS
  • 2012 Quantum Monte Carlo Calculations of Electronic Excitation Energies: The Case of the Singlet n→π∗ (CO) Transition in Acrolein in ADVANCES IN THE THEORY OF QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS
  • 2010-06 Possible use of DFT approaches for the determination of double exchange interactions in THEORETICAL CHEMISTRY ACCOUNTS
  • 2010-06 Electron localizability and polarizability in tight-binding graphene nanostructures in THEORETICAL CHEMISTRY ACCOUNTS
  • 2010-06 The lithium–thiophene interaction: a critical study using highly correlated electronic structure approaches of quantum chemistry in THEORETICAL CHEMISTRY ACCOUNTS
  • 2010-02-10 Relativistic String-Based Electron Correlation Methods in RELATIVISTIC METHODS FOR CHEMISTS
  • 2009-10 Ab initio excited states calculations of Kr3+, probing semi-empirical modelling in THEORETICAL CHEMISTRY ACCOUNTS
  • 2008 Common Format for Quantum Chemistry Interoperability: Q5Cost Format and Library in COMPUTATIONAL SCIENCE AND ITS APPLICATIONS – ICCSA 2008
  • 2007-09 Fragmentation induced by charge exchange in collisions of charged alkaline clusters with alkali atoms in THE EUROPEAN PHYSICAL JOURNAL D
  • JSON-LD is the canonical representation for SciGraph data.

    [
      {
        "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
        "foaf:homepage": [
          {
            "id": "http://www.lcpq.ups-tlse.fr/?lang=en"
          }
        ], 
        "grid:establishedYear": [
          {
            "@value": "1974-01-01", 
            "type": "http://www.w3.org/2001/XMLSchema#gYear"
          }
        ], 
        "grid:hasAddress": [
          {
            "id": "http://www.grid.ac/institutes/grid.494623.e/address-0"
          }
        ], 
        "grid:hasParent": [
          {
            "id": "http://www.grid.ac/institutes/grid.15781.3a"
          }
        ], 
        "grid:hasWikidataId": [
          {
            "id": "http://www.wikidata.org/entity/Q47520067"
          }
        ], 
        "grid:id": [
          {
            "@value": "grid.494623.e"
          }
        ], 
        "id": "http://www.grid.ac/institutes/grid.494623.e", 
        "rdfs:label": "Laboratoire de Chimie et Physique Quantiques", 
        "sdDataset": "grid", 
        "skos:prefLabel": [
          {
            "@value": "Laboratoire de Chimie et Physique Quantiques"
          }
        ], 
        "type": [
          "http://www.grid.ac/ontology/Facility", 
          "http://xmlns.com/foaf/0.1/Organization"
        ], 
        "vivo:abbreviation": [
          {
            "@value": "LCPQ"
          }
        ]
      }
    ]
     

    Download the RDF metadata as:  json-ld nt turtle xml License info

    HOW TO GET THIS DATA PROGRAMMATICALLY:

    JSON-LD is a popular format for linked data which is fully compatible with JSON.

    curl -H 'Accept: application/ld+json' 'https://www.grid.ac/institutes/grid.494623.e'

    N-Triples is a line-based linked data format ideal for batch operations.

    curl -H 'Accept: application/n-triples' 'https://www.grid.ac/institutes/grid.494623.e'

    Turtle is a human-readable linked data format.

    curl -H 'Accept: text/turtle' 'https://www.grid.ac/institutes/grid.494623.e'

    RDF/XML is a standard XML format for linked data.

    curl -H 'Accept: application/rdf+xml' 'https://www.grid.ac/institutes/grid.494623.e'


     

    This table displays all metadata directly associated to this object as RDF triples.

    12 TRIPLES      11 PREDICATES      12 URIs      5 LITERALS

    Subject Predicate Object
    1 grid-institutes:grid.494623.e sgo:sdDataset grid
    2 vivo:abbreviation LCPQ
    3 grid:establishedYear 1974-01-01
    4 grid:hasAddress grid-institutes:grid.494623.e/address-0
    5 grid:hasParent grid-institutes:grid.15781.3a
    6 grid:hasWikidataId wd:Q47520067
    7 grid:id grid.494623.e
    8 rdf:type grid:Facility
    9 foaf:Organization
    10 rdfs:label Laboratoire de Chimie et Physique Quantiques
    11 skos:prefLabel Laboratoire de Chimie et Physique Quantiques
    12 foaf:homepage http://www.lcpq.ups-tlse.fr/?lang=en
     




    Preview window. Press ESC to close (or click here)


    ...