|
2006 |
Linear response functions for a vibrational configuration interaction state |
Christiansen, Ove
; Kongsted, Jacob
; Paterson, Martin J.
; Luis Luis, Josep Maria
|
|
|
Linear response functions for a vibrational configuration interaction state |
Christiansen, Ove
; Kongsted, Jacob
; Paterson, Martin J.
; Luis Luis, Josep Maria
|
|
|
|
Mechanism of action of cyclic antimicrobial peptides |
DÃaz i Cirac, Anna
|
|
|
1 juliol 2011 |
Mechanism of action of cyclic antimicrobial peptides |
DÃaz i Cirac, Anna
|
|
|
|
Molecular dynamics explorations of active site structure in designed and evolved enzymes |
Osuna Oliveras, SÃlvia
; Jiménez-Osés, Gonzalo
; Noey, Elizabeth L.
; Houk, Kendall N.
|
|
|
2015 |
Molecular dynamics explorations of active site structure in designed and evolved enzymes |
Osuna Oliveras, SÃlvia
; Jiménez-Osés, Gonzalo
; Noey, Elizabeth L.
; Houk, Kendall N.
|
|
|
|
Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor |
Estévez Gay, Miquel
|
|
|
setembre 2016 |
Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor |
Estévez Gay, Miquel
|
|
|
1998 |
Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6 |
Luis Luis, Josep Maria
; MartÃ, Josep
; Duran i Portas, Miquel
; Andrés, José LuÃs
; Kirtman, Bernard
|
|
|
|
Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6 |
Luis Luis, Josep Maria
; MartÃ, Josep
; Duran i Portas, Miquel
; Andrés, José LuÃs
; Kirtman, Bernard
|
|
|
|
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borrà s, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
|
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borrà s, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
1 juny 2018 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
|
|
|
5 juny 2018 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borrà s, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
15 febrer 2020 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borrà s, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
19 juliol 2016 |
On the physical origins of interaction-induced vibrational (hyper)polarizabilities |
Zaleśny, Robert
; Garcia Borrà s, Marc
; Góra, Robert W.
; Medved, Miroslav
; Luis Luis, Josep Maria
|
|
|
setembre 2016 |
Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process |
Escayola Gordils, SÃlvia
|
|
|
|
Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process |
Escayola Gordils, SÃlvia
|
|
|
2012 |
Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C–C and O–O Homolytic Bond Cleavage in Selected Molecule |
Lopez, Xabier
; Ruipérez, Fernando
; Piris, Mario
; Matxain, Jon M.
; Matito i Gras, Eduard
; Ugalde, Jesús M.
|
|
|
|
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
|
|
|
|
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
|
|
|
1 juny 2018 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
|
|
|
5 juny 2018 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
|
|
|
6 juliol 2016 |
Photoinduced charge separation in the carbon nano-onion C60@C240 |
Voityuk, Alexander A.
; Solà i Puig, Miquel
|
|
|
|
Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam |
Ruiz-Barragán, Sergi
; Blancafort San José, LluÃs
|
