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In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesis.Identifying and rationalizing the morphological, structural, and optical properties of [Formula: see text]-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles calcuComputational design of biological catalysts.Theoretical QM/MM studies of enzymatic pericyclic reactions.Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.α-Ag2-2xZnxWO4 (0 ≤ x ≤ 0.25) Solid Solutions: Structure, Morphology, and Optical Properties.Synthesis, antifungal evaluation and optical properties of silver molybdate microcrystals in different solvents: a combined experimental and theoretical study.Synthesis and characterization of metastable β-Ag2WO4: an experimental and theoretical approach.How a Quantum Chemical Topology Analysis Enables Prediction of Electron Density Transfers in Chemical Reactions. The Degenerated Cope Rearrangement of Semibullvalene.A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acid.A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity.Prediction of dopant atom distribution on nanocrystals using thermodynamic arguments.A hybrid potential reaction path and free energy study of the chorismate mutase reaction.A theoretical study of the reaction between cyclopentadiene and protonated imine derivatives: a shift from a concerted to a stepwise molecular mechanism.Preorganization and reorganization as related factors in enzyme catalysis: the chorismate mutase case.Long-range and short-range structures of cube-like shape SrTiO3 powders: microwave-assisted hydrothermal synthesis and photocatalytic activity.Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase.Enhancing reactivity of carbonyl compounds via hydrogen-bond formation. A DFT study of the hetero-Diels-Alder reaction between butadiene derivative and acetone in chloroform.Understanding the mechanism of base-assisted decomposition of (N-halo),N-alkylalcoholamines.CaSO4 and its pressure-induced phase transitions. A density functional theory study.Understanding the nature of the molecular mechanisms associated with the competitive Lewis acid catalyzed [4+2] and [4+3] cycloadditions between arylidenoxazolone systems and cyclopentadiene: a DFT analysis.Understanding the molecular mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of the electron localization function and catastrophe theory.Density functional theory study on the structural and electronic properties of low index rutile surfaces for TiO2/SnO2/TiO2 and SnO2/TiO2/SnO2 composite systems.A theoretical study on the mechanism of the base-promoted decomposition of N-chloro,N-methylethanolamine.Toward an understanding of the hydrogenation reaction of MO2 gas-phase clusters (M = Ti, Zr, and Hf).Origin of the absorption maxima of the photoactive yellow protein resolved via ab initio multiconfigurational methods.On the nature of the transition state in catechol O-methyltransferase. A complementary study based on molecular dynamics and potential energy surface explorations.A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1,5-hexadiene and its cyano derivatives.Inquiry of the electron density transfers in chemical reactions: a complete reaction path for the denitrogenation process of 2,3-diazabicyclo[2.2.1]hept-2-ene derivatives.Synthesis and molecular and electronic structures of a series of Mo3CoSe4 cluster complexes with three different metal electron populations.Predicting an improvement of secondary catalytic activity of promiscuous isochorismate pyruvate lyase by computational design.Theoretical study on the reaction mechanism of VO2+ with propyne in gas phase.Towards understanding of magnetic interactions within a series of tetrathiafulvalene-pi conjugated-verdazyl diradical cation system: a density functional theory study.Better understanding of the ring-cleavage process of cyanocyclopropyl anionic derivatives. A theoretical study based on the electron localization function.In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: probing the physical principles.Can Supported Reduced Vanadium Oxides form H2 from CH3OH? A Computational Gas-Phase Mechanistic Study.Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations.Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3: Theoretical and Experimental Insights.Towards the scale-up of the formation of nanoparticles on α-Ag2WO4 with bactericidal properties by femtosecond laser irradiation.ZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic properties.
P50
Q27347164-5FDA2D71-4228-45AE-861A-0B87840D59DFQ31144219-95FF449B-4FC6-462D-A410-A38FC6B40885Q37330025-C074A853-7257-44D7-85FE-43A63848FCA3Q37773837-14C058D6-BB37-45DB-AF95-6BEE046B8653Q37932671-48871E7C-1082-469E-BA0F-DE91DC93D00DQ38730097-72E1B1D7-81B8-4259-83CE-6A046967050CQ39694947-EFF1AB79-BAD0-40B7-80FB-CE8204AC69B1Q40217559-08FD4864-2091-4840-A575-0AC22153DE09Q40623314-697E5CB3-CE73-4CF4-A3CB-267588BEC450Q42181291-552978DA-5440-42CD-BB27-1353D0BB3B59Q43293612-EEAEA1A8-8718-4E21-8D69-88A2F226E324Q43537010-A9813CDF-78C7-4825-A501-6C75D4758288Q43677296-6C0BE7E2-3E25-4718-8751-19B5535A088EQ43724228-BD5950A6-A7C9-42C3-B46D-3483BE95B159Q44313649-BE832A2E-0BB8-4113-AC45-953B8C257754Q44367369-4FB7FDF7-2853-4553-BD33-0509CA1134D3Q44481821-AF46E81F-7740-4323-A8B5-CC82B55F914AQ44629813-88688796-FA8B-4CEE-ADC0-631C6849E036Q44699549-26B76400-909E-44C7-91BE-0BE1838AC3A2Q44756412-5791A42C-D7F7-4709-B769-8F5F58880DB8Q45062674-6A2C9E35-7BC2-475B-977D-134708A1C85CQ45062701-6123467E-38F6-4058-92E0-857355DECC81Q45904836-AA33FB2C-05AE-4A45-A659-12469119F96EQ45933225-4A7941D4-6E24-473C-A17B-1B8DBAA9F939Q46045738-FB255AD9-A43C-4458-9F30-8F0D1883338DQ46571948-B8757268-9C3D-4094-A9E2-FD7A77A5174DQ46619838-A7F6017E-059D-4CE0-BB87-562CE2B73805Q46636687-6666E288-05E5-4133-8983-EC24A680DEA8Q46637177-9BDA6B53-C918-4956-BA24-00D956ABFB88Q46691285-B4BBD034-B201-4227-AA1B-0C315F2BC5ACQ46747679-FA1A2ED9-C935-4E02-9605-4DBE98693CC5Q46770960-4ADB1E8B-6825-41E0-8CC2-09C054B53669Q46783883-187BE338-C601-46DA-AE27-5BFEB8012168Q46891881-492D5BEF-32CE-499E-AB2E-6884389C8806Q47433015-505D1682-395B-4B52-A411-E5882237DD88Q48045166-4C051B9E-87C2-4EC3-BA82-2CF257EDBC2CQ48063722-DEE706C1-72AB-40FB-B1A3-21B5723A3C4BQ48131268-47CE5308-6524-4FF2-B859-ACD8FA9F9032Q49179937-4319AE2F-9D74-4FC2-AC67-525052657787Q49347568-9248FF25-6202-4482-9AF1-95F6F29521BB
P50
description
Spaans onderzoeker
@nl
Spanish researcher
@en
investigador español
@ast
taighdeoir Spáinneach
@ga
name
Juan Andrés
@ast
Juan Andrés
@ca
Juan Andrés
@en
Juan Andrés
@es
Juan Andrés
@ga
Juan Andrés
@nl
Juan Andrés
@sl
Juan Andrés
@sq
type
label
Juan Andrés
@ast
Juan Andrés
@ca
Juan Andrés
@en
Juan Andrés
@es
Juan Andrés
@ga
Juan Andrés
@nl
Juan Andrés
@sl
Juan Andrés
@sq
altLabel
Juan A. Andres
@en
Juan M. Andres
@en
prefLabel
Juan Andrés
@ast
Juan Andrés
@ca
Juan Andrés
@en
Juan Andrés
@es
Juan Andrés
@ga
Juan Andrés
@nl
Juan Andrés
@sl
Juan Andrés
@sq
P214
P950
P1053
A-4112-2008
P106
P1153
7102575313
P1580
P21
P213
0000 0000 6055 4508
P214
P27
P31
P3829
P496
0000-0003-0232-3957
P734
P735
P7859
viaf-87634528