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Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem |
Asturiol Bofill, David
; Duran i Portas, Miquel
; Salvador Sedano, Pedro
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Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Van Duijnen, Piet th.
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2005 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
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1 juny 2018 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
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5 juny 2018 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
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15 febrer 2020 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
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28 maig 2021 |
Molecular mechanisms involved in sperm-oocyte interaction and oocyte activation. Infertility associated with the dysfunction of these mechanisms |
Tarrés Gómez, Maria
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
|
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1 juny 2018 |
One- and two-center energy components in the atoms in molecules theory |
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5 juny 2018 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
|
|
2001 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
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2007 |
One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
|
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One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
|
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novembre 2008 |
Quimeres que no són quimera |
Universitat de Girona. Servei de Publicacions
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octubre 2009 |
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
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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
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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
|
|
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15 febrer 2020 |
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
|
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juny 2016 |
Towards an accurate Kohn-Sham Density Functional Theory Molecular Energy Decomposition scheme |
Gimferrer Andrés, Martí
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Towards an accurate Kohn-Sham Density Functional Theory Molecular Energy Decomposition scheme |
Gimferrer Andrés, Martí
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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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2006 |
Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3 |
Luis Luis, Josep Maria
; Reis, Heribert
; Papadopoulos, Manthos G.
; Kirtman, Bernard
|
|
|
15 febrer 2020 |
Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: umbrella motion in NH3 |
Luis Luis, Josep Maria
; Reis, Heribert
; Papadopoulos, Manthos G.
; Kirtman, Bernard
|
