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Journal of Molecular Modeling
|
March 20, 2014
Theoretical insight on novel donor-acceptor exTTF-based dyes for dye-sensitized solar cells
Joaquín Calbo, Pedro M Viruela, Enrique Ortí
The Journal of Physical Chemistry. A
|
November 12, 2021
Charge-Separation and Charge-Recombination Rate Constants in a Donor-Acceptor Buckybowl-Based Supramolecular Complex: Multistate and Solvent Effects
Jesús Cerdá, Joaquín Calbo, Enrique Ortí, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 6, 2016
Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds
Joaquín Calbo, Rafael Viruela, Enrique Ortí, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
April 8, 2017
Flexible Chirality in Self-Assembled N-Annulated Perylenedicarboxamides
Julia Buendía, Joaquín Calbo, Enrique Ortí, et al.
The Journal of Chemical Physics
|
June 9, 2026
Computational hole mobilities in (pseudo-)amorphous organic semiconductors
Manuel Pérez-Escribano, Jesús Cerdá, Enrique Ortí, et al.
Angewandte Chemie (International Ed. in English)
|
June 16, 2020
N-Annulated Perylene Bisimides to Bias the Differentiation of Metastable Supramolecular Assemblies into J- and H-Aggregates
Elisa E Greciano, Joaquín Calbo, Enrique Ortí, et al.
Journal of Computational Chemistry
|
May 31, 2017
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes
Joaquín Calbo, Juan C Sancho-García, Enrique Ortí, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 9, 2017
Tetrathiafulvalene-Polychlorotriphenylmethyl Dyads: Influence of Bridge and Open-Shell Characteristics on Linear and Nonlinear Optical Properties
Manuel Souto, Joaquín Calbo, Imma Ratera, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections
Joaquín Calbo, Enrique Ortí, Juan C Sancho-García, et al.
Molecules (Basel, Switzerland)
|
January 11, 2018
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
Joaquín Calbo, Juan Carlos Sancho-García, Enrique Ortí, et al.
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Search research articles
Search
Showing results (1-10 of 72) with videos related to
Sort By:
Page
of 8
Journal of Molecular Modeling
|
March 20, 2014
Theoretical insight on novel donor-acceptor exTTF-based dyes for dye-sensitized solar cells
Joaquín Calbo, Pedro M Viruela, Enrique Ortí
The Journal of Physical Chemistry. A
|
November 12, 2021
Charge-Separation and Charge-Recombination Rate Constants in a Donor-Acceptor Buckybowl-Based Supramolecular Complex: Multistate and Solvent Effects
Jesús Cerdá, Joaquín Calbo, Enrique Ortí, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 6, 2016
Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds
Joaquín Calbo, Rafael Viruela, Enrique Ortí, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
April 8, 2017
Flexible Chirality in Self-Assembled N-Annulated Perylenedicarboxamides
Julia Buendía, Joaquín Calbo, Enrique Ortí, et al.
The Journal of Chemical Physics
|
June 9, 2026
Computational hole mobilities in (pseudo-)amorphous organic semiconductors
Manuel Pérez-Escribano, Jesús Cerdá, Enrique Ortí, et al.
Angewandte Chemie (International Ed. in English)
|
June 16, 2020
N-Annulated Perylene Bisimides to Bias the Differentiation of Metastable Supramolecular Assemblies into J- and H-Aggregates
Elisa E Greciano, Joaquín Calbo, Enrique Ortí, et al.
Journal of Computational Chemistry
|
May 31, 2017
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes
Joaquín Calbo, Juan C Sancho-García, Enrique Ortí, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 9, 2017
Tetrathiafulvalene-Polychlorotriphenylmethyl Dyads: Influence of Bridge and Open-Shell Characteristics on Linear and Nonlinear Optical Properties
Manuel Souto, Joaquín Calbo, Imma Ratera, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections
Joaquín Calbo, Enrique Ortí, Juan C Sancho-García, et al.
Molecules (Basel, Switzerland)
|
January 11, 2018
Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes
Joaquín Calbo, Juan Carlos Sancho-García, Enrique Ortí, et al.
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