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out url icon Recercat The driving force role of ruthenacyclobutanes Vummaleti, Sai Vikrama Chaitanya ; Cavallo, Luigi ; Poater Teixidor, Albert
doc icon DUGiDocs The driving force role of ruthenacyclobutanes Vummaleti, Sai Vikrama Chaitanya ; Cavallo, Luigi ; Poater Teixidor, Albert
doc icon DUGiDocs 2000 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel
out url icon Recercat Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel
out url icon Recercat 2020 February 15 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel
doc icon DUGiDocs 2009 Effective atomic orbitals for fuzzy atoms Mayer, István ; Salvador Sedano, Pedro
out url icon Recercat Effective atomic orbitals for fuzzy atoms Mayer, István ; Salvador Sedano, Pedro
out url icon Recercat Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters Carvalho, Alexandra T P ; Swart, Marcel
doc icon DUGiDocs Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters Carvalho, Alexandra T.P. ; Swart, Marcel
doc icon DUGiDocs 2010 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat 2018 June 1 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene
out url icon Recercat 2018 June 5 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat 2020 February 15 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
doc icon DUGiDocs 2006 Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres AntĂłn, Ă’scar ; Parella Coll, Teodor ; SolĂ  i Puig, Miquel ; Roglans i Ribas, Anna ; Pla i Quintana, Anna
doc icon DUGiDocs Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres AntĂłn, Ă’scar ; Parella Coll, Teodor ; SolĂ  i Puig, Miquel ; Roglans i Ribas, Anna ; Pla i Quintana, Anna
out url icon Recercat Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 Aroua, Safwan ; Garcia Borràs, Marc ; Bölter, Marc Florian ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
doc icon DUGiDocs Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 Aroua, Safwan ; Garcia Borràs, Marc ; Bölter, Marc Florian ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
doc icon DUGiDocs 2004 Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2017 June Entenent el comportament erràtic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals Montilla Busquets, Marc
out url icon Recercat Entenent el comportament erràtic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals Montilla Busquets, Marc
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