Listing items by Author "Fradera i Llinàs, Xavier"

17 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
doc icon DUGiDocs 2002 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
out url icon Recercat 2020 February 15 A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
doc icon DUGiDocs 2000 Effect of basis set superposition error on the electron density of molecular complexes Salvador Sedano, Pedro ; Fradera i Llinàs, 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 Llinàs, 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 Llinàs, Xavier ; Duran i Portas, Miquel
doc icon DUGiDocs 2000 The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
out url icon Recercat The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
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
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 1997 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, 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 Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
out url icon Recercat 2020 February 15 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
doc icon DUGiDocs 1996 Sobre els mapes de semblança quàntica molecular Fradera i Llinàs, Xavier ; Amat Barnés, Lluís ; Carbó-Dorca, Ramon
doc icon DUGiDocs 1996 Sobre els mapes de semblança quàntica molecular Fradera i Llinàs, Xavier ; Amat Barnés, Lluís ; Carbó-Dorca, Ramon
out url icon Recercat Sobre els mapes de semblança quàntica molecular Fradera i Llinàs, Xavier ; Amat Barnés, Lluís ; Carbó-Dorca, Ramon
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