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DUGi: Llistar Títols | dc.subject:"Density functionals" | 125 - 150


Llistar Títols

S'han trobat 419 ítems

Llistant ítems des de 125 a 150:

  1  2  3  4  5  6  7  8  9  10  11   
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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 1 juny 2018 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene
out url icon Recercat 5 juny 2018 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 15 febrer 2020 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 Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres Antón, Òscar ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Roglans i Ribas, Anna ; Pla i Quintana, Anna
doc icon DUGiDocs 1 novembre 2015 Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres Antón, Òscar ; Parella Coll, Teodor ; Solà 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 2015 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 juny 2017 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
out url icon Recercat Environmental friendly Fe substitutive of Ru in water oxidation catalysis Poater Teixidor, Albert
doc icon DUGiDocs 1 gener 2014 Environmental friendly Fe substitutive of Ru in water oxidation catalysis Poater Teixidor, Albert
doc icon DUGiDocs juliol 2023 Estudi de la reactivitat d’una caixa M@C36 reaccions Diels-Alder Romero del Blanco, Daniel
doc icon DUGiDocs 15 març 2015 Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene Manzini, Simone ; Cavallo, Luigi ; Nolan, Steven P. ; Urbina-Blanco, Cesar A. ; Nelson, David J. ; Poater Teixidor, Albert ; Lebl, Tomas ; Meiries, Sébastien ; Slawin, Alexandra M. Z. ; Falivene, Laura
out url icon Recercat Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene Manzini, Simone ; Cavallo, Luigi ; Nolan, Steven P. ; Urbina-Blanco, Cesar A. ; Nelson, David J. ; Poater Teixidor, Albert ; Lebl, Tomas ; Meiries, Sébastien ; Slawin, Alexandra M. Z. ; Falivene, Laura
out url icon Recercat Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) Migani, Annapaola ; Blancafort San José, Lluís
doc icon DUGiDocs 14 desembre 2016 Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) Migani, Annapaola ; Blancafort San José, Lluís
out url icon Recercat Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Anelković, Katarina
doc icon DUGiDocs 2015 Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Andjelković, Katarina
out url icon Recercat Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT Poater Teixidor, Albert ; Credendino, Raffaele ; Slugovc, Christian ; Cavallo, Luigi
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Matèries


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Autors


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