Browse by Title
188 items found
Showing titles from 50 to 75:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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2009 |
Effective atomic orbitals for fuzzy atoms |
Mayer, István
; Salvador Sedano, Pedro
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Effective atomic orbitals for fuzzy atoms |
Mayer, István
; Salvador Sedano, Pedro
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2010 July 7 |
Electronic excited states of F-elements in solids |
Seijo, Luis
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Electron Localization Function at the Correlated Level: A Natural Orbital Formulation |
Feixas Geronès, Ferran
; Matito i Gras, Eduard
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
; Silvi, Bernard
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2010 |
Electron Localization Function at the Correlated Level: A Natural Orbital Formulation |
Feixas Geronès, Ferran
; Matito i Gras, Eduard
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
; Silvi, Bernard
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2010 July 5 |
Energy and entropy decomposition using the electron density |
Ayers, Paul
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2017 June |
Entenent el comportament errà tic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals |
Montilla Busquets, Marc
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Entenent el comportament errà tic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals |
Montilla Busquets, Marc
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Estimation of electronic coupling for singlet excitation energy transfer |
Voityuk, Alexander A.
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2014 |
Estimation of electronic coupling for singlet excitation energy transfer |
Voityuk, Alexander A.
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1997 |
Estudi Qsar d’una famĂlia de Quinolones utilitzant Ăndex de semblança i Ăndex topològics de semblança i Ăndexs topològics de semblanç |
Amat BarnĂ©s, LluĂs
; Lobato, Miquel
; BesalĂş i LlorĂ , Emili
; CarbĂł-Dorca, Ramon
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Estudi Qsar d’una famĂlia de Quinolones utilitzant Ăndex de semblança i Ăndex topològics de semblança i Ăndexs topològics de semblanç |
Amat BarnĂ©s, LluĂs
; Lobato, Miquel
; BesalĂş i LlorĂ , Emili
; CarbĂł-Dorca, Ramon
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2010 July 8 |
Explicitly correlated F12 methods using CUSP conditions |
Ten-no, Seiichiro
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1995 |
First-order molecular descriptors for molecular steric similarity |
SolĂ i Puig, Miquel
; Mestres i LĂłpez, Jordi
; CarbĂł-Dorca, Ramon
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First-order molecular descriptors for molecular steric similarity |
SolĂ i Puig, Miquel
; Mestres i LĂłpez, Jordi
; CarbĂł-Dorca, Ramon
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1996 |
Formulació matricial de la teoria de pertorbacions de Rayleigh-Schrödringer: monodimensional |
BesalĂş i LlorĂ , Emili
; CarbĂł-Dorca, Ramon
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Formulació matricial de la teoria de pertorbacions de Rayleigh-Schrödringer: monodimensional |
BesalĂş i LlorĂ , Emili
; CarbĂł-Dorca, Ramon
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2010 July 7 |
A Fractional view of the exchange-correlation functional in density-functional theory |
Mori-Sánchez, Paula
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2002 May 10 |
Funcions densitat i semblança molecular quà ntica: nous desenvolupaments i aplicacions |
Gironés Torrent, Xavier
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Funcions densitat i semblança molecular quà ntica: nous desenvolupaments i aplicacions |
Gironés Torrent, Xavier
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1987 |
Fuzzy set Theory and Quantum Chemistry |
CarbĂł-Dorca, Ramon
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Fuzzy set Theory and Quantum Chemistry |
CarbĂł-Dorca, Ramon
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2010 July 6 |
Ground and excited state aromaticity and antiaromaticity: magnetic criteria and the valence-bond picture |
Karadakov, Peter
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2010 July 5 |
A Hierarchical set of one electron functions in real space |
MartĂn-Pendás, Angel
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2010 July 5 |
How do proteins regulate the driving force of excitation transfer in a photosynthetic marine algae? |
Curutchet, Carles
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