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Journal of Chemical Theory and Computation
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November 24, 2015
Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex
Agisilaos Chantzis, Thibaut Very, Antonio Monari, et al.
Frontiers in Chemistry
|
April 19, 2018
Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules
Marco Marazzi, Hugo Gattuso, Antonio Monari, et al.
Journal of Computational Chemistry
|
January 31, 2006
On the suitability of strictly localized orbitals for hybrid QM/MM calculations
Arianna Fornili, Yohann Moreau, Maurizio Sironi, et al.
Journal of Inorganic Biochemistry
|
June 18, 2010
A theoretical study of Ru(II) polypyridyl DNA intercalators structure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine-cytosine base pairs
David Ambrosek, Pierre-François Loos, Xavier Assfeld, et al.
The Journal of Organic Chemistry
|
March 20, 2009
Protonation of the side group in beta- and gamma-aminated proline analogues: effects on the conformational preferences
Alejandra Flores-Ortega, Jordi Casanovas, Xavier Assfeld, et al.
The Journal of Physical Chemistry. A
|
July 21, 2006
Revealing successive steps of deprotonation of L- phosphoserine through 13C and 31P chemical shielding tensor fingerprints
Carole Gardiennet-Doucet, Xavier Assfeld, Bernard Henry, et al.
Biomacromolecules
|
July 17, 2009
Modeling an electronic conductor based on natural peptide sequences
Francisco Rodríguez-Ropero, David Zanuy, Xavier Assfeld, et al.
Journal of Molecular Modeling
|
May 23, 2024
Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling
Lina Ould Mohamed, Soraya Abtouche, Zeyneb Ghoualem, et al.
The Journal of Physical Chemistry. A
|
March 25, 2011
Theoretical study of new ruthenium-based dyes for dye-sensitized solar cells
Antonio Monari, Xavier Assfeld, Marc Beley, et al.
Journal of Chemical Theory and Computation
|
May 6, 2020
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods
Giovanni Macetti, Erna K Wieduwilt, Xavier Assfeld, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 55) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
November 24, 2015
Improved Treatment of Surrounding Effects: UV/vis Absorption Properties of a Solvated Ru(II) Complex
Agisilaos Chantzis, Thibaut Very, Antonio Monari, et al.
Frontiers in Chemistry
|
April 19, 2018
Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules
Marco Marazzi, Hugo Gattuso, Antonio Monari, et al.
Journal of Computational Chemistry
|
January 31, 2006
On the suitability of strictly localized orbitals for hybrid QM/MM calculations
Arianna Fornili, Yohann Moreau, Maurizio Sironi, et al.
Journal of Inorganic Biochemistry
|
June 18, 2010
A theoretical study of Ru(II) polypyridyl DNA intercalators structure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine-cytosine base pairs
David Ambrosek, Pierre-François Loos, Xavier Assfeld, et al.
The Journal of Organic Chemistry
|
March 20, 2009
Protonation of the side group in beta- and gamma-aminated proline analogues: effects on the conformational preferences
Alejandra Flores-Ortega, Jordi Casanovas, Xavier Assfeld, et al.
The Journal of Physical Chemistry. A
|
July 21, 2006
Revealing successive steps of deprotonation of L- phosphoserine through 13C and 31P chemical shielding tensor fingerprints
Carole Gardiennet-Doucet, Xavier Assfeld, Bernard Henry, et al.
Biomacromolecules
|
July 17, 2009
Modeling an electronic conductor based on natural peptide sequences
Francisco Rodríguez-Ropero, David Zanuy, Xavier Assfeld, et al.
Journal of Molecular Modeling
|
May 23, 2024
Unraveling redox pathways of the disulfide bond in dimethyl disulfide: Ab initio modeling
Lina Ould Mohamed, Soraya Abtouche, Zeyneb Ghoualem, et al.
The Journal of Physical Chemistry. A
|
March 25, 2011
Theoretical study of new ruthenium-based dyes for dye-sensitized solar cells
Antonio Monari, Xavier Assfeld, Marc Beley, et al.
Journal of Chemical Theory and Computation
|
May 6, 2020
Localized Molecular Orbital-Based Embedding Scheme for Correlated Methods
Giovanni Macetti, Erna K Wieduwilt, Xavier Assfeld, et al.
Page
of 6