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doc icon DUGiDocs 2016 March 11 Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; El Bakouri, Ouissam
out url icon Recercat Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; El Bakouri, Ouissam
out url icon Recercat Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; El Bakouri, Ouissam
out url icon Recercat 2018 June 1 Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach
out url icon Recercat 2018 June 5 Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; El Bakouri, Ouissam
media icon DUGiMedia 2010 July 8 Posmom: the unobserved observable Gill, Peter
doc icon DUGiDocs 1995 Practical applications of quantum molecular similarity measures (QMSM): programs and examples Carbó-Dorca, Ramon ; Amat Barnés, Lluís ; Besalú i Llorà, Emili ; Fradera i Llinàs, Xavier
out url icon Recercat Practical applications of quantum molecular similarity measures (QMSM): programs and examples Carbó-Dorca, Ramon ; Amat Barnés, Lluís ; Besalú i Llorà, Emili ; Fradera i Llinàs, Xavier
doc icon DUGiDocs 1995 Quantum similarity topological indices definition, analysis and comparison with classical molecular topological indices BesalĂş i LlorĂ , Emili ; CarbĂł-Dorca, Ramon
out url icon Recercat Quantum similarity topological indices definition, analysis and comparison with classical molecular topological indices BesalĂş i LlorĂ , Emili ; CarbĂł-Dorca, Ramon
media icon DUGiMedia 2010 July 6 Recent advances in LC-DFT Kimihiko, Hirao
doc icon DUGiDocs 1996 Relacions estructura-propietat per un conjunt d’hidrocarburs a partir de nous descriptors tridimensionals derivats de la semblança molecular quàntica Besalú i Llorà, Emili ; Lobato, Miquel ; Carbó-Dorca, Ramon
out url icon Recercat Relacions estructura-propietat per un conjunt d’hidrocarburs a partir de nous descriptors tridimensionals derivats de la semblança molecular quàntica Besalú i Llorà, Emili ; Lobato, Miquel ; Carbó-Dorca, Ramon
media icon DUGiMedia 2010 July 7 Relationship between stacking and hydrogen bonding in watson-crick base pairs Bertran Rusca, Juan
media icon DUGiMedia 2010 July 5 (Revised) SSB-D: A new functional for biological applications Swart, Marcel
doc icon DUGiDocs 2013 Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
doc icon DUGiDocs 2017 January 1 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat 2018 June 1 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
out url icon Recercat 2018 June 5 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
media icon DUGiMedia 2010 July 7 Secondary interactions organize hydrogen splitting by frustrated Lewis pairs Rokob, Tibor András
doc icon DUGiDocs 1991 Semblança molecular: representació n-dimensional d’un conjunt de molècules Calabuig Cabanes, Blanca ; Carbó-Dorca, Ramon ; Martínez, Antoni
out url icon Recercat Semblança molecular: representació n-dimensional d’un conjunt de molècules Calabuig Cabanes, Blanca ; Carbó-Dorca, Ramon ; Martínez, Antoni
doc icon DUGiDocs 2016 July 29 Separation of dynamic and nondynamic correlation Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Matito i Gras, Eduard
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