about
Mutagenic effects induced by the attack of NO2 radical to the guanine-cytosine base pair.Relaxation pathways of the OD stretch fundamental of HOD in liquid H2O.Harmonic Models in Cartesian and Internal Coordinates to Simulate the Absorption Spectra of Carotenoids at Finite Temperatures.Si-bearing molecules toward IRC+10216: ALMA unveils the molecular envelope of CWLeoMolecular dynamics simulations and instantaneous normal-mode analysis of the vibrational relaxation of the C-H stretching modes of N-methylacetamide-d in liquid deuterated water.Theoretical study of the tautomerism in the one-electron oxidized guanine-cytosine base pair.Instantaneous normal modes, resonances, and decay channels in the vibrational relaxation of the amide I mode of N-methylacetamide-D in liquid deuterated water.A theoretical study of the reaction of beta-carotene with the nitrogen dioxide radical in solution.Intermolecular proton transfer in microhydrated guanine-cytosine base pairs: a new mechanism for spontaneous mutation in DNA.Density functional theory study of the stability and vibrational spectra of the beta-carotene isomers.Antioxidant properties of β-carotene isomers and their role in photosystems: insights from Ab initio simulations.Conformational changes of β-carotene and zeaxanthin immersed in a model membrane through atomistic molecular dynamics simulations.Effects of hydration on the proton transfer mechanism in the adenine-thymine base pair.Labelling Herceptin with a novel oxaliplatin derivative: a computational approach towards the selective drug delivery.A density functional theory study of the structure and vibrational spectra of beta-carotene, capsanthin, and capsorubin.Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations.Structure, Spectra, and DFT Simulation of Nickel Benzazolate Complexes with Tris(2-aminoethyl)amine Ligand.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.Could the addition of hp-hMG and GnRH antagonists modulate the response in IVF-ICSI cycles?Antibodies as Carrier Molecules: Encapsulating Anti-Inflammatory Drugs inside Herceptine.Structure and spectroscopic properties of nickel benzazolate complexes with hydrotris(pyrazolyl)borate ligand.Instantaneous normal mode analysis of the vibrational relaxation of the amide I mode of alanine dipeptide in water.A method for analyzing the vibrational energy flow in biomolecules in solution.Surface hopping simulation of the vibrational relaxation of I2 in liquid xenon using the collective probabilities algorithm.Hints of a rotating spiral structure in the innermost regions around IRC +10216.A new fluorescence turn-on chemosensor for nanomolar detection of Al3+ constructed from a pyridine–pyrazole systemAssessing the Importance of Proton Transfer Reactions in DNAImpact of DFT functionals on the predicted magnesium–DNA interaction: an ONIOM studyAtomistic Molecular Dynamics Simulations of the Interactions of Oleic and 2-Hydroxyoleic Acids with Phosphatidylcholine BilayersCombined effect of stacking and solvation on the spontaneous mutation in DNATheoretical study of the low-lying excited states of -carotene isomers by a multireference configuration interaction methodDouble proton transfer mechanism in the adenine–uracil base pair and spontaneous mutation in RNA duplexAerosol Lidar Intercomparison in the Framework of SPALINET—The Spanish Lidar Network: Methodology and ResultsQuantum solution of coupled harmonic oscillator systems beyond normal coordinatesQuantum treatment of Hénon–Heiles systems using oblique coordinatesHigh-resolution rotational spectrum, Dunham coefficients, and potential energy function of NaClA rotating spiral structure in the innermost regions around IRC+10216Conformational Changes of Trialanine in Water Induced by Vibrational Relaxation of the Amide I ModeRovibrational energies, partition functions and equilibrium fractionation of the CO2 isotopologuesTheoretical 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
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Alberto Requena
@ast
Alberto Requena
@en
Alberto Requena
@es
Alberto Requena
@nl
Alberto Requena
@sl
type
label
Alberto Requena
@ast
Alberto Requena
@en
Alberto Requena
@es
Alberto Requena
@nl
Alberto Requena
@sl
prefLabel
Alberto Requena
@ast
Alberto Requena
@en
Alberto Requena
@es
Alberto Requena
@nl
Alberto Requena
@sl
P106
P21
P31
P496
0000-0002-9408-9493
P569
2000-01-01T00:00:00Z