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FormatDateTitleAuthor
out url icon Recercat 2018 June 5 Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model Jensen, L. ; Swart, Marcel ; Duijnen, Petrus Theodorus van‏
doc icon DUGiDocs 2001 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat 2018 June 1 One- and two-center energy components in the atoms in molecules theory
out url icon Recercat 2018 June 5 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
doc icon DUGiDocs 2007 One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2008 November Quimeres que no sĂłn quimera Universitat de Girona. Servei de Publicacions
doc icon DUGiDocs 2009 October Ramon Carbó-Dorca: "Per resoldre els problemes bàsics de la ciència, amb un paper i un llapis n’hi ha prou" Fonalleras, Josep Maria ; Gorini, Carles ; Carbó-Dorca, Ramon
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 2016 June Towards an accurate Kohn-Sham Density Functional Theory Molecular Energy Decomposition scheme Gimferrer Andrés, Martí
out url icon Recercat Towards an accurate Kohn-Sham Density Functional Theory Molecular Energy Decomposition scheme Gimferrer Andrés, Martí
doc icon DUGiDocs 2009 Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3 Luis Luis, Josep Maria ; Reis, Heribert C. ; Papadopoulos, Manthos G. ; Kirtman, Bernard
out url icon Recercat Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3 Luis Luis, Josep Maria ; Reis, Heribert C. ; Papadopoulos, Manthos G. ; Kirtman, Bernard
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