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Journal of Chemical Theory and Computation
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March 24, 2023
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, et al.
The Journal of Physical Chemistry. A
|
September 13, 2022
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine
Qiushuang Xu, Daniel Aranda, Martha Yaghoubi Jouybari, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 20, 2020
Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy
María Rosa López-Ramírez, Daniel Aranda, Isabel López-Tocón, et al.
Journal of Chemical Theory and Computation
|
April 4, 2022
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach
Alekos Segalina, Daniel Aranda, James A Green, et al.
Journal of Chemical Theory and Computation
|
October 12, 2022
Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms
Daniel Aranda, Francisco García-González, Francisco José Avila Ferrer, et al.
Chirality
|
April 17, 2018
Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol
Javier Cerezo, Daniel Aranda, Francisco J Avila Ferrer, et al.
Angewandte Chemie (International Ed. in English)
|
June 27, 2024
Aggregation of One-Dimensional Wires: The Case of Long Oligoynes
Fernando Gordillo-Gámez, Yueze Gao, Juan Aragó, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 7, 2024
Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential
Samuel Valdivia, Francisco García-González, Daniel Aranda, et al.
Chempluschem
|
April 13, 2022
ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes
Ani Ozcelik, Daniel Aranda, Raquel Pereira-Cameselle, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 20, 2024
Neutral and Anion Species of Quinoidal Thienothiophene Diketopyrrolopyrroles Display a Common Aggregation Mode
Sergio Moles Quintero, Maria João Álvaro-Martins, Daniel Aranda, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 40) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
March 24, 2023
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions
Francesco Segatta, Daniel Aranda Ruiz, Flavia Aleotti, et al.
The Journal of Physical Chemistry. A
|
September 13, 2022
Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine
Qiushuang Xu, Daniel Aranda, Martha Yaghoubi Jouybari, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 20, 2020
Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy
María Rosa López-Ramírez, Daniel Aranda, Isabel López-Tocón, et al.
Journal of Chemical Theory and Computation
|
April 4, 2022
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach
Alekos Segalina, Daniel Aranda, James A Green, et al.
Journal of Chemical Theory and Computation
|
October 12, 2022
Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms
Daniel Aranda, Francisco García-González, Francisco José Avila Ferrer, et al.
Chirality
|
April 17, 2018
Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol
Javier Cerezo, Daniel Aranda, Francisco J Avila Ferrer, et al.
Angewandte Chemie (International Ed. in English)
|
June 27, 2024
Aggregation of One-Dimensional Wires: The Case of Long Oligoynes
Fernando Gordillo-Gámez, Yueze Gao, Juan Aragó, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 7, 2024
Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential
Samuel Valdivia, Francisco García-González, Daniel Aranda, et al.
Chempluschem
|
April 13, 2022
ON/OFF Spiroconjugation through Peripheral Functionalization: Impact on the Reactivity and Chiroptical Properties of Spirobifluorenes
Ani Ozcelik, Daniel Aranda, Raquel Pereira-Cameselle, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 20, 2024
Neutral and Anion Species of Quinoidal Thienothiophene Diketopyrrolopyrroles Display a Common Aggregation Mode
Sergio Moles Quintero, Maria João Álvaro-Martins, Daniel Aranda, et al.
Page
of 4