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 45 results:
Tagged
XML
BibTex
Sort by:
Author
[
Title
]
Type
Year
Filters:
Author
is
Curutchet, Carles
[Clear All Filters]
A
B
C
D
E
F
G
H
I
J
K
L
M
N
O
P
Q
R
S
T
U
V
W
X
Y
Z
A
Curutchet, C
,
Poater J
,
Sola M
,
Elguero J
. 2011.
Analysis of the Effects of N-Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles
.
Journal of Physical Chemistry A. 115(30):8571-8577.
Abstract
Tagged
XML
BibTex
Google Scholar
B
Beljonne, D
,
Curutchet C
,
Scholes GD
,
Silbey RJ
. 2009.
Beyond Forster Resonance Energy Transfer in Biological and Nanoscale Systems
.
Journal of Physical Chemistry B. 113(19):6583-6599.
Abstract
Tagged
XML
BibTex
Google Scholar
Camps, P
,
Gomez E
,
Munoz-Torrero D
,
Badia A
,
Clos M V
,
Curutchet C
,
Munoz-Muriedas J
,
Luque FJ
. 2006.
Binding of 13-amidohuprines to acetylcholinesterase: Exploring the ligand-induced conformational change of the Gly117-Gly118 peptide bond in the oxyanion hole
.
Journal of Medicinal Chemistry. 49(23):6833-6840.
Abstract
Tagged
XML
BibTex
Google Scholar
C
Luque, FJ
,
Curutchet C
,
Munoz-Muriedas J
,
Bidon-Chanal A
,
Soteras I
,
Morreale A
,
Gelpi JL
,
Orozco M
. 2003.
Continuum solvation models: Dissecting the free energy of solvation
.
Physical Chemistry Chemical Physics. 5(18):3827-3836.
Abstract
Tagged
XML
BibTex
Google Scholar
D
Hossein-Nejad, H
,
Curutchet C
,
Kubica A
,
Scholes GD
. 2011.
Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PE545 Antenna Proteins
.
Journal of Physical Chemistry B. 115(18):5243-5253.
Abstract
Tagged
XML
BibTex
Google Scholar
Soteras, I
,
Curutchet C
,
Bidon-Chanal A
,
Dehez F
,
Angyan JG
,
Orozco M
,
Chipot C
,
Luque FJ
. 2007.
Derivation of distributed models of atomic polarizability for molecular Simulations
.
Journal of Chemical Theory and Computation. 3(6):1901-1913.
Abstract
Tagged
XML
BibTex
Google Scholar
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
Caprasecca, S
,
Curutchet C
,
Mennucci B
. 2013.
Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays
.
Journal of Physical Chemistry C. 117(24):12423-12431.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Voityuk AA
. 2012.
Distance Dependence of Triplet Energy Transfer in Water and Organic Solvents: A QM/MD Study
.
Journal of Physical Chemistry C. 116(42):22179-22185.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Mennucci B
,
Scholes GD
,
Beljonne D
. 2008.
Does forster theory predict the rate of electronic energy transfer for a model dyad at low temperature?
Journal of Physical Chemistry B. 112(12):3759-3766.
Abstract
Tagged
XML
BibTex
Google Scholar
E
Curutchet, C
,
Munoz-Losa A
,
Monti S
,
Kongsted J
,
Scholes GD
,
Mennucci B
. 2009.
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model
.
Journal of Chemical Theory and Computation. 5(7):1838-1848.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Cramer CJ
,
Truhlar DG
,
Ruiz-Lopez MF
,
Rinaldi D
,
Orozco M
,
Luque FJ
. 2003.
Electrostatic component of solvation: Comparison of SCRF continuum models
.
Journal of Computational Chemistry. 24(3):284-297.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Bofill JM
,
Hernandez B
,
Orozco M
,
Luque FJ
. 2003.
Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations
.
Journal of Computational Chemistry. 24(10):1263-1275.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Novoderezhkin VI
,
Kongsted J
,
Munoz-Losa A
,
van Grondelle R
,
Scholes GD
,
Mennucci B
. 2013.
Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation
.
Journal of Physical Chemistry B. 117(16):4263-4273.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Voityuk AA
. 2011.
Environment effects on triplet-triplet energy transfer in DNA
.
Chemical Physics Letters. 512(1-3):118-122.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Franceschetti A
,
Zunger A
,
Scholes GD
. 2008.
Examining Forster energy transfer for semiconductor nanocrystalline quantum dot donors and acceptors
.
Journal of Physical Chemistry C. 112(35):13336-13341.
Abstract
Tagged
XML
BibTex
Google Scholar
Novoderezhkin, VI
,
Doust AB
,
Curutchet C
,
Scholes GD
,
van Grondelle R
. 2010.
Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory
.
Biophysical Journal. 99(2):344-352.
Abstract
Tagged
XML
BibTex
Google Scholar
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
F
Munoz-Losa, A
,
Curutchet C
,
Krueger BP
,
Hartsell LR
,
Mennucci B
. 2009.
Fretting about FRET: Failure of the Ideal Dipole Approximation
.
Biophysical Journal. 96(12):4779-4788.
Abstract
Tagged
XML
BibTex
Google Scholar
H
Scholes, GD
,
Curutchet C
,
Mennucci B
,
Cammi R
,
Tomasi J
. 2007.
How solvent controls electronic energy transfer and light harvesting
.
Journal of Physical Chemistry B. 111(25):6978-6982.
Abstract
Tagged
XML
BibTex
Google Scholar
Curutchet, C
,
Scholes GD
,
Mennucci B
,
Cammi R
. 2007.
How solvent controls electronic energy transfer and light harvesting: Toward a quantum-mechanical description of reaction field and screening effects
.
Journal of Physical Chemistry B. 111(46):13253-13265.
Abstract
Tagged
XML
BibTex
Google Scholar
I
Wong, CY
,
Curutchet C
,
Tretiak S
,
Scholes GD
. 2009.
Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes
.
Journal of Chemical Physics. 130(8)
Abstract
Tagged
XML
BibTex
Google Scholar
M
Kim, J
,
Huxter VM
,
Curutchet C
,
Scholes GD
. 2009.
Measurement of Electron-Electron Interactions and Correlations Using Two-Dimensional Electronic Double-Quantum Coherence Spectroscopy
.
Journal of Physical Chemistry A. 113(44):12122-12133.
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
Curutchet, C
,
Bidon-Chanal A
,
Orozco M
,
Luque FJ
. 2004.
MST study of group contributions for alkane derivatives: effect of the charge normalization
.
Chemical Physics Letters. 384(4-6):299-305.
Abstract
Tagged
XML
BibTex
Google Scholar
1
2
next ›
last »