Publications
Group Members
News
Contact us
Software
User login
Username:
*
Password:
*
Request new password
Recent blog posts
Group Seminar and Journal Club 2017 - NEW!
Group Seminar and Journal Club 2016 - NEW!
Group Seminars and Journal Clubs - 2016
Installing PyMol from MacPorts
How to calculate ROC curves
MIPGen
Small Molecule Dihedrals Parametrization
Gaussian 09 and Antechamber12
Organic solvent boxes
Parametrize new ligands for AMBER and CHARMM
more
Home
Publications
List
Filter
Export 8 results:
Tagged
XML
BibTex
Sort by:
Author
Title
Type
[
Year
]
Filters:
Keyword
is
anisotropic dielectrics
[Clear All Filters]
2005
Soteras, I
,
Curutchet C
,
Bidon-Chanal A
,
Orozco M
,
Luque FJ
. 2005.
Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations
.
Journal of Molecular Structure-Theochem. 727(1-3):29-40.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Bidon-Chanal A
,
Soteras I
,
Orozco M
,
Luque FJ
. 2005.
MST continuum study of the hydration free energies of monovalent ionic species
.
Journal of Physical Chemistry B. 109(8):3565-3574.
Abstract
Tagged
XML
BibTex
Google Scholar
2006
Curutchet, C
,
Orozco M
,
Luque FJ
,
Mennucci B
,
Tomasi J
. 2006.
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model
.
Journal of Computational Chemistry. 27(15):1769-1780.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Cammi R
,
Mennucci B
,
Corni S
. 2006.
Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces
.
Journal of Chemical Physics. 125(5)
Abstract
Tagged
XML
BibTex
Google Scholar
2010
Curutchet, C
,
Feist FA
,
Van Averbeke B
,
Mennucci B
,
Jacob J
,
Muellen K
,
Basche T
,
Beljonne D
. 2010.
Superexchange-mediated electronic energy transfer in a model dyad
.
Physical Chemistry Chemical Physics. 12(27):7378-7385.
Abstract
Tagged
XML
BibTex
Google Scholar
2011
Caprasecca, S
,
Curutchet C
,
Mennucci B
. 2011.
Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad
.
Photochemical & Photobiological Sciences. 10(10):1602-1609.
Abstract
Tagged
XML
BibTex
Google Scholar
Mennucci, B
,
Curutchet C
. 2011.
The role of the environment in electronic energy transfer: a molecular modeling perspective
.
Physical Chemistry Chemical Physics. 13(24):11538-11550.
Abstract
Tagged
XML
BibTex
Google Scholar
2012
Caprasecca, S
,
Curutchet C
,
Mennucci B
. 2012.
Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach
.
Journal of Chemical Theory and Computation. 8(11):4462-4473.
Abstract
Tagged
XML
BibTex
Google Scholar