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Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase |
Maria-Solano, Miguel A.
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
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2018 June 1 |
Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase |
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2018 June 5 |
Exploring the reversal of enantioselectivity on a Zinc-dependent Alcohol Dehydrogenase |
Maria-Solano, Miguel A.
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
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Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study |
MartĂnez, Juan Pablo
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
; Voityuk, Alexander A.
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2015 |
Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study |
MartĂnez LĂłpez, Juan Pablo
; Osuna Oliveras, SĂlvia
; SolĂ i Puig, Miquel
; Voityuk, Alexander A.
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2007 |
Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox |
Fort, Joaquim
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Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox |
Fort, Joaquim
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Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox |
Fort, Joaquim
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2018 June 1 |
Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox |
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2018 June 5 |
Fronts from complex two-dimensional dispersal kernels: theory and application to Reid’s paradox |
Fort, Joaquim
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2013 |
A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia BorrĂ s, Marc
; SolĂ i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
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A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions |
Garcia BorrĂ s, Marc
; SolĂ i Puig, Miquel
; Lauvergnat, David
; Reis, Heribert C.
; Luis Luis, Josep Maria
; Kirtman, Bernard
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2006 |
Linear response functions for a vibrational configuration interaction state |
Christiansen, Ove
; Kongsted, Jacob
; Paterson, Martin J.
; Luis Luis, Josep Maria
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Linear response functions for a vibrational configuration interaction state |
Christiansen, Ove
; Kongsted, Jacob
; Paterson, Martin J.
; Luis Luis, Josep Maria
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2011 July 1 |
Mechanism of action of cyclic antimicrobial peptides |
DĂaz i Cirac, Anna
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Mechanism of action of cyclic antimicrobial peptides |
DĂaz i Cirac, Anna
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2015 |
Molecular dynamics explorations of active site structure in designed and evolved enzymes |
Osuna Oliveras, SĂlvia
; Jiménez-Osés, Gonzalo
; Noey, Elizabeth L.
; Houk, Kendall N.
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Molecular dynamics explorations of active site structure in designed and evolved enzymes |
Osuna Oliveras, SĂlvia
; Jiménez-Osés, Gonzalo
; Noey, Elizabeth L.
; Houk, Kendall N.
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2016 September |
Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor |
Estévez Gay, Miquel
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Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor |
Estévez Gay, Miquel
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On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia BorrĂ s, Marc
; GĂłra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
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2016 July 19 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia BorrĂ s, Marc
; GĂłra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
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On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia BorrĂ s, Marc
; GĂłra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
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2018 June 1 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
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2018 June 5 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia BorrĂ s, Marc
; GĂłra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
