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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2016 September Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process Escayola Gordils, SĂ­lvia
out url icon Recercat Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process Escayola Gordils, SĂ­lvia
doc icon DUGiDocs 2012 Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C–C and O–O Homolytic Bond Cleavage in Selected Molecule Lopez, Xabier ; Ruipérez, Fernando ; Piris, Mario ; Matxain, Jon M. ; Matito i Gras, Eduard ; Ugalde, Jesus M.
out url icon Recercat Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; SolĂ  i Puig, Miquel
out url icon Recercat Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2016 July 6 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; SolĂ  i Puig, Miquel
out url icon Recercat 2018 June 1 Photoinduced charge separation in the carbon nano-onion C60@C240
out url icon Recercat 2018 June 5 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2013 Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
out url icon Recercat Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
doc icon DUGiDocs 2017 June 24 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat 2018 June 1 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198
out url icon Recercat 2018 June 5 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
doc icon DUGiDocs 2003 Relations among several nuclear and electronic density functional reactivity indexes Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
out url icon Recercat Relations among several nuclear and electronic density functional reactivity indexes Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Toro-Labbé, Alejandro ; Solà i Puig, Miquel
doc icon DUGiDocs 1997 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
out url icon Recercat The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
doc icon DUGiDocs 2004 Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2006 Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
out url icon Recercat Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
doc icon DUGiDocs 1998 Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
out url icon Recercat Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: curvature contributions Kirtman, Bernard ; Luis Luis, Josep Maria ; Bishop, David M.
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