1. Universitat Rovira i Virgili

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Communities and Collections

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  Quantum Chemistry group

  
  

  • A Zigzag Sc2C2 Carbide Cluster inside a [88]Fullerene Cage with One Heptagon, Sc2C2@Cs(hept)-C88: A Kinetically-Trapped Fullerene Formed by C2 Insertion?

    Sc2C2@C88
  • Borylation_Dienes_Gerard_Bru

    Borylation_Dienes_Gerard_Bru
  • C78Cl6-C5Cl6

    C78Cl6-C5Cl6
  • Co9-Co9Ge

    Co9-Co9Ge
  • Cr2M

    Cr2M
  • Dimerization of endohedral fullerene in a superatomic crystal

    dimer_Lu3N@C80
  • DOI__NUMBER

    DOI__NUMBER
  • DOI_NUMBER_Cyclopropenones

    DOI_NUMBER_Cyclopropenones
  • EMF_separation_Supramolecular_encapsulation

    EMF_separation_Supramolecular_encapsulation
  • EMF_separation_u2c78_vs_u2c80

    EMF_separation_u2c78_vs_u2c80
  • Experimenta!

    Experimenta!
  • fe-salophen

    fe-salophen
  • From Mononuclear to Dinuclear: Magnetic Properties of Transition Metal Complexes

    Thesis Sergi Saureu
  • fullerene_C92

    fullerene_C92
  • Globular_glycodendrimeric_multifullerenes

    Globular_glycodendrimeric_multifullerenes
  • H2O2_decomposition_over_Zr(IV)-substituted_Lindqvist
  • Halogenated_Endohedral_Metallofullerenes__Precursors_Predicted_b

    Halogenated_Endohedral_Metallofullerenes__Precursors_Predicted_b
  • La3N@C92: An Endohedral Metallofullerene Governed by Kinetic Factors?

    La3NC92
  • Mapping_alpha_boryl_carbanion

    Mapping_alpha_boryl_carbanion
  • Mapping_the_Reactivity_Trends_of_Stabilized_?-Boryl_Carbanions

    Mapping_the_Reactivity_Trends_of_Stabilized_?-Boryl_Carbanions
  • Mapping_the_Reactivity_Trends_of_Stabilized_?-Boryl_Carbanions

    Mapping_the_Reactivity_Trends_of_Stabilized_?-Boryl_Carbanions
  • Methanometallofullerenes_from_Multi-component_Reactions

    Methanometallofullerenes_from_Multi-component_Reactions
  • Mixed_Dimetallic_Cluster_Fullerenes

    Mixed_Dimetallic_Cluster_Fullerenes
  • Mo_substituted_PW12

    Mo_substituted_PW12
  • NbPOM-epox

    NbPOM-epox
  • N=N_cleavage_Ta2H2

    N=N_cleavage_Ta2H2
  • On_the_formation_of_C2v-C72(11188)Cl4__A_particularly_stable_non-IPR_fullerene

    On_the_formation_of_C2v-C72(11188)Cl4__A_particularly_stable_non-IPR_fullerene
  • On the role of the imide axial ligand in the spin and oxidation state of Mn corrole and corrolazine complexes
  • Pd13-Pd15

    Pd13-Pd15
  • POMatMOF-545

    POMatMOF-545
  • POMCo4

    POMCo4
  • POM-silica-bodipy

    POM-silica-bodipy
  • POMSnFF

    POMSnFF
  • Preyssler

    Preyssler
  • PV14-benzylammonium_in_water

    PV14-benzylammonium_in_water
  • PW11-Au(100)

    PW11-Au(100)
  • Reactive Force Field Development for Propane Dehydrogenation on Platinum Surfaces

    ReaxFF 2023-Pt/C/H
  • ReCO2

    ReCO2
  • Re_CO2_reduction

    Re_CO2_reduction
  • Redox activity of mixed addenda Keggin polyoxometalates

    Redox activity of mixed addenda Keggin polyoxometalates
  • RWGS_on_Ni_Cu

    RWGS_on_Ni_Cu
  • Sc2O@C2n_family_

    Sc2O@C2n_family_
  • Sc2O@Td(19151)-C76: Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies

    Sc2O@C76_
  • Sc3N@C2n_growth_

    Sc3N@C2n_growth_
  • Sc3O@C80

    Sc3O@C80
  • ScY@C3v(8)-C82

    ScY@C3v(8)-C82
  • Ta_Sulfido_Study

    Reductive Hydrogenation on Sulfido-Bridged Tantalum Complexes: A Mechanistic Insight
  • Th2@C80

    Th2@C80
  • Th@C2(14)-C86_+_Th@C3(18)-C86

    Th@C2(14)-C86_+_Th@C3(18)-C86
  • th@c82

    th@c82
  • Th@C86_ipr_11

    Th@C86_ipr_11
  • Ti-epox_TBHP

    Ti-epox_TBHP
  • Ti-SiloxPOM_stability

    Ti-SiloxPOM_stability
  • Transborylation_reaction_of_alkenylboranes

    Transborylation_reaction_of_alkenylboranes
  • U@(17418)C76_U@(28324)C80_Th@(28324)C80

    U@(17418)C76_U@(28324)C80_Th@(28324)C80
  • U2@C2n

    U2@C2n
  • U2@C80

    U2@C80
  • U2N@Ih(7)-C80

    U2N@Ih(7)-C80
  • U@C2n_(2n=60,70,72,74)

    U@C2n_(2n=60,70,72,74)
  • U@C2n(2n=82-86)Symmetry

    U@C2n(2n=82-86)Symmetry
  • U@C82_U@C74

    U@C82_U@C74
  • Unusual_C2h-symmetric_trans-1-(bis-pyrrolidine)-tetra-malonate_h

    Unusual_C2h-symmetric_trans-1-(bis-pyrrolidine)-tetra-malonate_h
  • Uranium_Ions_Form_Strong_Metal-Metal_Bonds_within_Fullerenes

    Uranium_Ions_Form_Strong_Metal-Metal_Bonds_within_Fullerenes
  • V18

    V18
  • V-POM

    V-POM
  • WOC_POMs_Fe2Co2-WK,_Co3W-WK,_Co4-WK

    WOC_POMs_Fe2Co2-WK,_Co3W-WK,_Co4-WK
  • WOC_POMs_Fe4-SK,_Fe-K,_Co4-SK_and_Co-K

    WOC_POMs_Fe4-SK,_Fe-K,_Co4-SK_and_Co-K
  • Zr6-POhydrolysis

    Zr6-POhydrolysis
  • Zr-Cluster_Amide_bond_formation_study

    Zr-Cluster_Amide_bond_formation_study
  • ZrPOM-epox

    ZrPOM-epox