Curutchet, Carles: search on Z-Library

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1

On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

Klamt, Andreas, Mennucci, Benedetta, Tomasi, Jacopo, Barone, Vincenzo, Curutchet, Carles, Orozco, Modesto, Luque, F. Javier

Journal:

Accounts of Chemical Research

Year:

2009

Language:

english

File:

PDF, 107 KB

english, 2009

2

Molecular basis of the exciton–phonon interactions in the PE545 light-harvesting complex

Viani, Lucas, Corbella, Marina, Curutchet, Carles, O'Reilly, Edward J., Olaya-Castro, Alexandra, Mennucci, Benedetta

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.38 MB

english, 2014

3

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model

Carles Curutchet, Modesto Orozco, F. Javier Luque, Benedetta Mennucci, Jacopo Tomasi

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 262 KB

english, 2006

4

Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545

Aghtar, Mortaza, Kleinekathöfer, Ulrich, Curutchet, Carles, Mennucci, Benedetta

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 2.39 MB

english, 2017

5

Triplet–Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale

Dr. Carles Curutchet, Prof. Dr. Alexander A. Voityuk

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 387 KB

english, 2011

6

Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory

Novoderezhkin, Vladimir I., Doust, Alexander B., Curutchet, Carles, Scholes, Gregory D., van Grondelle, Rienk

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 1.47 MB

english, 2010

7

Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM Model

Curutchet, Carles, Muñoz-Losa, Aurora, Monti, Susanna, Kongsted, Jacob, Scholes, Gregory D., Mennucci, Benedetta

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 243 KB

english, 2009

8

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - How the Molecular Environment Controls Excitation Energy Transfer and Light Harvesting: a Quantum Mechanical Model

Mennucci, Benedetta, Curutchet, Carles, Cammi, Roberto, Scholes, Gregory D., Simos, Theodore E., Maroulis, George

Year:

2007

Language:

english

File:

PDF, 379 KB

english, 2007

9

Electrostatic component of solvation: Comparison of SCRF continuum models

Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, , Daniel Rinaldi, Modesto Orozco, F. Javier Luque

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 125 KB

english, 2003

10

Electronic Couplings for Resonance Energy Transfer from CCSD Calculations: From Isolated to Solvated Systems

Caricato, Marco, Curutchet, Carles, Mennucci, Benedetta, Scalmani, Giovanni

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

11

Binding of 13-Amidohuprines to Acetylcholinesterase: Exploring the Ligand-Induced Conformational Change of the Gly117-Gly118 Peptide Bond in the Oxyanion Hole

Camps, Pelayo, Gómez, Elena, Muñoz-Torrero, Diego, Badia, Albert, Clos, Maria Victòria, Curutchet, Carles, Muñoz-Muriedas, Jordi, Luque, Francisco Javier

Journal:

Journal of Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

12

Towards a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems. II. The Through-Bond Contribution

Russo, Vincenzo, Curutchet, Carles, Mennucci, Benedetta

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 407 KB

english, 2007

13

Environment effects on triplet–triplet energy transfer in DNA

Carles Curutchet, Alexander A. Voityuk

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 638 KB

english, 2011

14

Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein–Ligand Complex?

Pinheiro, Silvana, Curutchet, Carles

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 3.14 MB

english, 2017

15

Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach

Caprasecca, Stefano, Curutchet, Carles, Mennucci, Benedetta

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

16

Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein

Curutchet, Carles, Kongsted, Jacob, Muñoz-Losa, Aurora, Hossein-Nejad, Hoda, Scholes, Gregory D., Mennucci, Benedetta

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 4.85 MB

english, 2011

17

Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields

Zgarbová, Marie, Rosnik, Andreana M., Luque, F. Javier, Curutchet, Carles, Jurečka, Petr

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

18

Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations

Ignacio Soteras, Carles Curutchet, Axel Bidon-Chanal, Modesto Orozco, F. Javier Luque

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 157 KB

english, 2005

19

Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum

Li, Quansong, Mennucci, Benedetta, Robb, Michael A., Blancafort, Lluís, Curutchet, Carles

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.19 MB

english, 2015

20

Structural and energetic study of cation–π–cation interactions in proteins

Pinheiro, Silvana, Soteras, Ignacio, Gelpí, Josep Lluis, Dehez, François, Chipot, Christophe, Luque, F. Javier, Curutchet, Carles

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.80 MB

english, 2017

21

Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes

Wong, Cathy Y., Curutchet, Carles, Tretiak, Sergei, Scholes, Gregory D.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 182 KB

english, 2009

22

Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin

Guareschi, Riccardo, Valsson, Omar, Curutchet, Carles, Mennucci, Benedetta, Filippi, Claudia

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 2.17 MB

english, 2016

23

Superexchange-mediated electronic energy transfer in a model dyad

Curutchet, Carles, Feist, Florian A., Averbeke, Bernard Van, Mennucci, Benedetta, Jacob, Josemon, Müllen, Klaus, Basché, Thomas, Beljonne, David

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.33 MB

english, 2010

24

Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad

Caprasecca, Stefano, Curutchet, Carles, Mennucci, Benedetta

Journal:

Photochemical & Photobiological Sciences

Year:

2011

Language:

english

File:

PDF, 287 KB

english, 2011

25

Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces

Curutchet, Carles, Cammi, Roberto, Mennucci, Benedetta, Corni, Stefano

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 585 KB

english, 2006

26

Analysis of the Effects of N -Substituents on Some Aspects of the Aromaticity of Imidazoles and Pyrazoles

Curutchet, Carles, Poater, Jordi, Solà, Miquel, Elguero, José

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.73 MB

english, 2011

27

Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays

Caprasecca, Stefano, Curutchet, Carles, Mennucci, Benedetta

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

28

Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex

List, Nanna Holmgaard, Curutchet, Carles, Knecht, Stefan, Mennucci, Benedetta, Kongsted, Jacob

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 684 KB

english, 2013

29

How Solvent Controls Electronic Energy Transfer and Light Harvesting

Scholes, Gregory D., Curutchet, Carles, Mennucci, Benedetta, Cammi, Roberto, Tomasi, Jacopo

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 336 KB

english, 2007

30

Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation

Caprasecca, Stefano, Jurinovich, Sandro, Viani, Lucas, Curutchet, Carles, Mennucci, Benedetta

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

31

Measurement of Electron−Electron Interactions and Correlations Using Two-Dimensional Electronic Double-Quantum Coherence Spectroscopy

Kim, Jeongho, Huxter, Vanessa M., Curutchet, Carles, Scholes, Gregory D.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.57 MB

english, 2009

32

How abasic sites impact hole transfer dynamics in GC-rich DNA sequences

Corbella Morató, Marina, Voityuk, Alexander, Curutchet, Carles

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.06 MB

english, 2018

33

[AIP COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1 - ()] AIP Conference Proceedings - Through-bond Versus Through-Space Contributions on Excitation Energy Transfer in Condensed Phase

Curutchet, Carles, Russo, Vincenzo, Mennucci, Benedetta, Simos, Theodore E., Maroulis, George

Year:

2007

File:

PDF, 644 KB

2007

34

On the Binding of Congo Red to Amyloid Fibrils

EspargarÃ³, Alba, LlabrÃ©s, SalomÃ©, Saupe, Sven J., Curutchet, Carles, Luque, F. Javier, SabatÃ©, Raimon

Journal:

Angewandte Chemie International Edition

Year:

2020

Language:

english

File:

PDF, 1.11 MB

english, 2020

35

Toward a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems

Curutchet, Carles, Mennucci, Benedetta

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 501 KB

english, 2005

36

A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings

Neugebauer, Johannes, Curutchet, Carles, Muñoz-Losa, Aurora, Mennucci, Benedetta

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 1.38 MB

english, 2010

37

Delocalization-Enhanced Long-Range Energy Transfer between Cryptophyte Algae PE545 Antenna Proteins

Hossein-Nejad, Hoda, Curutchet, Carles, Kubica, Aleksander, Scholes, Gregory D.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.40 MB

english, 2011

38

Limits and potentials of quantum chemical methods in modelling photosynthetic antennae

Jurinovich, Sandro, Viani, Lucas, Curutchet, Carles, Mennucci, Benedetta

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 4.00 MB

english, 2015

39

MST study of group contributions for alkane derivatives: effect of the charge normalization

Carles Curutchet, Axel Bidon-Chanal, Modesto Orozco, F.Javier Luque

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

40

Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase Hha I Complexes

Corbella, Marina, Voityuk, Alexander A., Curutchet, Carles

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 2.70 MB

english, 2015

41

Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations

Carles Curutchet, Josep María Bofill, Begoña Hernández, Modesto Orozco, F. Javier Luque

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 154 KB

english, 2003

42

Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645

Mirkovic, Tihana, Doust, Alexander B., Kim, Jeongho, Wilk, Krystyna E., Curutchet, Carles, Mennucci, Benedetta, Cammi, Roberto, Curmi, Paul M. G., Scholes, Gregory D.

Journal:

Photochemical & Photobiological Sciences

Year:

2007

Language:

english

File:

PDF, 378 KB

english, 2007

43

The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description

Jurinovich, Sandro, Curutchet, Carles, Mennucci, Benedetta

Journal:

Year:

2014

Language:

english

File:

PDF, 1.90 MB

english, 2014

44

Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus–Scrocco–Tomasi Continuum Solvation Calculations

Zamora, William J., Curutchet, Carles, Campanera, Josep M., Luque, F. Javier

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1.91 MB

english, 2017

45

Determination of the protonation preferences of bilin pigments in cryptophyte antenna complexes

Corbella Morató, Marina, Toa, Zi S. D., Scholes, Gregory, Luque, F. Javier, Curutchet, Carles

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.92 MB

english, 2018

46

Electronic energy transfer in biomacromolecules

Cupellini, Lorenzo, Corbella, Marina, Mennucci, Benedetta, Curutchet, Carles

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2018

Language:

english

File:

PDF, 3.92 MB

english, 2018

47

Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations

Zamora, William J., Pinheiro, Silvana, German, Kilian, Ràfols, Clara, Curutchet, Carles, Luque, F. Javier

Journal:

Journal of Computer-Aided Molecular Design

Year:

2019

File:

PDF, 1.01 MB

2019

48

Does Förster Theory Predict the Rate of Electronic Energy Transfer for a Model Dyad at Low Temperature?

Curutchet, Carles, Mennucci, Benedetta, Scholes, Gregory D., Beljonne, David

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 286 KB

english, 2008

49

Inside Cover: The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description (ChemPhysChem 15/2014)

Jurinovich, Sandro, Curutchet, Carles, Mennucci, Benedetta

Journal:

Year:

2014

File:

PDF, 1.90 MB

2014

50

Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex

Viani, Lucas, Curutchet, Carles, Mennucci, Benedetta

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 411 KB

english, 2013

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