Publications by authors named "Alberto Requena"

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Correction to " Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues".
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo

J Phys Chem A· July 2024

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Quantum Dynamics of Oblique Vibrational States in the Hénon-Heiles System.
José Zúñiga, Adolfo Bastida, Alberto Requena

J Phys Chem A· October 2023

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Human root dentin microhardness and degradation by triple antibiotic paste and calcium hydroxide.
Sonia Gúzman, Mario Caccia, Olga Cortés, Jose M Bolarin, Alberto Requena

Am J Dent· August 2022

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Partition Functions and Thermodynamic Quantities for the Molecular Hydrogen Isotopologues.
José Zúñiga, Adolfo Bastida, Alberto Requena, Javier Cerezo

J Phys Chem A· October 2021

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On the Role of Entropy in the Stabilization of α-Helices.
Adolfo Bastida, José Zúñiga, Alberto Requena, Beatriz Miguel, Javier Cerezo

J Chem Inf Model· December 2020

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Intraresidual Correlated Motions in Peptide Chains.
Adolfo Bastida, Javier Carmona-García, José Zúñiga, Alberto Requena, Javier Cerezo

J Chem Inf Model· November 2019

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Energetic Self-Folding Mechanism in α-Helices.
Adolfo Bastida, José Zúñiga, Alberto Requena, Javier Cerezo

J Phys Chem B· October 2019

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Tuning the Optical Properties of Novel Antitumoral Drugs Based on Cyclometalated Iridium(III) Complexes.
José Pedro Cerón-Carrasco, José Zúñiga, Alberto Requena

J Phys Chem A· October 2019

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Antibodies as Carrier Molecules: Encapsulating Anti-Inflammatory Drugs inside Herceptine.
José Pedro Cerón-Carrasco, Horacio Pérez-Sánchez, José Zúñiga, Alberto Requena

J Phys Chem B· February 2018

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DFT Simulation of Structural and Optical Properties of 9-Aminoacridine Half-Sandwich Ru(II), Rh(III), and Ir(III) Antitumoral Complexes and Their Interaction with DNA.
José Pedro Cerón-Carrasco, José Ruiz, Consuelo Vicente, Concepción de Haro, Delia Bautista, Alberto Requena

J Chem Theory Comput· August 2017

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Structure, Spectra, and DFT Simulation of Nickel Benzazolate Complexes with Tris(2-aminoethyl)amine Ligand.
Javier Cerezo, Alberto Requena, José Zúñiga, María José Piernas, M Dolores Santana

Inorg Chem· March 2017

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Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations.
Miguel A Soler, José Zúñiga, Alberto Requena, Adolfo Bastida

Phys Chem Chem Phys· February 2017

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Relaxation pathways of the OD stretch fundamental of HOD in liquid HO.
Beatriz Miguel, José Zúñiga, Alberto Requena, Adolfo Bastida

J Chem Phys· December 2016

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Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide I Mode.
Adolfo Bastida, José Zúñiga, Alberto Requena, Beatriz Miguel, María Emilia Candela

J Phys Chem B· January 2016

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Mutagenic effects induced by the attack of NO2 radical to the guanine-cytosine base pair.
José P Cerón-Carrasco, Alberto Requena, José Zúñiga, Denis Jacquemin

Front Chem· March 2015

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Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery.
José P Cerón-Carrasco, Javier Cerezo, Alberto Requena, José Zuñiga, Julia Contreras-García

J Mol Model· September 2014

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Assessing the importance of proton transfer reactions in DNA.
Denis Jacquemin, José Zúñiga, Alberto Requena, José Pedro Céron-Carrasco

Acc Chem Res· August 2014

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Theoretical study of the temperature dependence of the vibrational relaxation of the H2O bend fundamental in liquid water and the subsequent distortion of the hydrogen bond network.
Beatriz Miguel, José Zúñiga, Alberto Requena, Adolfo Bastida

J Phys Chem B· August 2014

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Erratum: Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.
Javier Cerezo, José Zúñiga, Alberto Requena, Francisco J Ávila Ferrer, Fabrizio Santoro

J Chem Theory Comput· August 2014

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Structure and spectroscopic properties of nickel benzazolate complexes with hydrotris(pyrazolyl)borate ligand.
Luisa López-Banet, M Dolores Santana, María José Piernas, Gabriel García, Javier Cerezo, Alberto Requena

Inorg Chem· June 2014

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Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.
Javier Cerezo, José Zúñiga, Alberto Requena, Francisco J Ávila Ferrer, Fabrizio Santoro

J Chem Theory Comput· November 2013

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Conformational changes of β-carotene and zeaxanthin immersed in a model membrane through atomistic molecular dynamics simulations.
Javier Cerezo, José Zúñiga, Adolfo Bastida, Alberto Requena, José Pedro Cerón-Carrasco

Phys Chem Chem Phys· May 2013

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Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.
Marwa H Farag, José Zúñiga, Alberto Requena, Adolfo Bastida

J Chem Phys· May 2013

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Molecular dynamics with quantum transitions study of the vibrational relaxation of the HOD bend fundamental in liquid D2O.
Adolfo Bastida, José Zúñiga, Alberto Requena, Beatriz Miguel

J Chem Phys· June 2012

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Antioxidant properties of β-carotene isomers and their role in photosystems: insights from Ab initio simulations.
Javier Cerezo, José Zúñiga, Adolfo Bastida, Alberto Requena, José Pedro Cerón-Carrasco

J Phys Chem A· April 2012

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