Browse by Title
188 items found
Showing titles from 75 to 100:
| Format | Date | Title | Author |
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| Format | Date | Title | Author |
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2010 July 6 |
Hydrogen motion in proton sponges |
Horbatenko, Yevhen
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2001 December 20 |
Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions |
Salvador Sedano, Pedro
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Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions |
Salvador Sedano, Pedro
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INDO/X: A new semiempirical method for excited states of organic and biological molecules |
Voityuk, Alexander A.
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2014 |
INDO/X: A new semiempirical method for excited states of organic and biological molecules |
Voityuk, Alexander A.
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2010 July 5 |
The Influece of atoms-in-molecules methods on shared-electron distribution indices and domain averaged fermi holes |
Bultinck, Patrick
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Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study |
Lech, Christopher J.
; Phan, Anh Tuân
; Michel-Beyerle, Maria Elisabeth
; Voityuk, Alexander A.
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2015 |
Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study |
Lech, Christopher J.
; Phan, Anh Tuân
; Michel-Beyerle, Maria Elisabeth
; Voityuk, Alexander A.
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2010 July 5 |
Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthquinone |
Li, Quansong
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1998 July 24 |
Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants |
Simon i Rabasseda, SÃlvia
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Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants |
Simon i Rabasseda, SÃlvia
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Interaction of Dark Excited States: Comparison of Computational Approaches |
Voityuk, Alexander A.
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2015 |
Interaction of Dark Excited States: Comparison of Computational Approaches |
Voityuk, Alexander A.
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2008 |
Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids |
Besalú i Llorà , Emili
; Vera, Leonel
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Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids |
Besalú i Llorà , Emili
; Vera, Leonel
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Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids |
Besalú i Llorà , Emili
; Vera, Leonel
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Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
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Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
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2013 |
Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
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2010 July 7 |
Is water a source of energy? Water oxidation for hydrogen production |
Poater, Albert
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Local spin analysis and chemical bonding |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; Reiher, Markus
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2013 November 4 |
Local spin analysis and chemical bonding |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
; Reiher, Markus
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2010 July 5 |
Local spin |
Mayer, Istvan
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1997 |
El mètode APT (Auto Adjusting Perturbation Theory) de diagonalització de matrius |
Carbó-Dorca, Ramon
; Besalú i Llorà , Emili
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El mètode APT (Auto Adjusting Perturbation Theory) de diagonalització de matrius |
Carbó-Dorca, Ramon
; Besalú i Llorà , Emili
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