Browse by Title

168 items found

Showing titles from 100 to 125:

  1  2  3  4  5  6  7   
FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2016 September Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor Estévez Gay, Miquel
out url icon Recercat Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor Estévez Gay, Miquel
doc icon DUGiDocs 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 ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
out url icon Recercat 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 ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
out url icon Recercat On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
out url icon Recercat On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
out url icon Recercat 2018 June 1 On the physical origins of interaction-induced vibrational (hyper)polarizabilities
out url icon Recercat 2018 June 5 On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
doc icon DUGiDocs 2016 July 19 On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
out url icon Recercat 2020 February 15 On the physical origins of interaction-induced vibrational (hyper)polarizabilities Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
doc icon DUGiDocs 2016 September Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process Escayola Gordils, Sílvia
out url icon Recercat Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process Escayola Gordils, Sílvia
doc icon DUGiDocs 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, Jesus M.
out url icon Recercat Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
out url icon Recercat Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
doc icon DUGiDocs 2016 July 6 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
out url icon Recercat 2018 June 1 Photoinduced charge separation in the carbon nano-onion C60@C240
out url icon Recercat 2018 June 5 Photoinduced charge separation in the carbon nano-onion C60@C240 Voityuk, Alexander A. ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
out url icon Recercat Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
doc icon DUGiDocs 2017 June 24 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
out url icon Recercat 2018 June 1 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198
out url icon Recercat 2018 June 5 Rational Design of Cyclic Antimicrobial Peptides Based on BPC194 and BPC198 Díaz i Cirac, Anna ; Torné, Maria ; Badosa Romañó, Esther ; Montesinos Seguí, Emilio ; Salvador Sedano, Pedro ; Feliu Soley, Lídia ; Planas i Grabuleda, Marta
  1  2  3  4  5  6  7   

Subjects

Authors