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Dft/Mrci Assessment Of The Excited State Interplay In A Coumarin Schiff Mg<Sup>2+</Sup> Fluorescent Sensor
|
2020 |
3 |
artículo de investigación |
Journal Of Computational Chemistry
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WoS Scopus |
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Radiative Decay Channel Assessment To Understand The Sensing Mechanism Of A Fluorescent Turn On Al<Sup>3+</Sup> Chemosensor
|
2020 |
9 |
artículo de investigación |
International Journal Of Quantum Chemistry
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WoS Scopus |
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Quantum Chemical Elucidation Of The Turn On Luminescence Mechanism In Two New Schiff Bases As Selective Chemosensors Of Zn<Sup>2+</Sup>: Synthesis, Theory And Bioimaging Applications
|
2019 |
25 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Potential Use Of An Anthocyanin Rich Extract From Berries Of Vaccinium Meridionale Swartz As Sensitizer For Ti O2 Thin Films – An Experimental And Theoretical Study
|
2019 |
11 |
artículo de investigación |
Journal Of Photochemistry And Photobiology A Chemistry
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WoS Scopus |
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Cyanobacterial Biomass Pigments As Natural Sensitizer For Ti O<Sub>2</Sub> Thin Films
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2019 |
5 |
artículo de investigación |
International #Journal Of Photoenergy
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WoS Scopus |
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Understanding The Selective Sensing Mechanism Of Al<Sup>3+</Sup> Cation By A Chemical Sensor Based On Schiff Base: A Theoretical Approach
|
2019 |
30 |
artículo de investigación |
Journal Of Physical Chemistry A
|
WoS Scopus |
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Structural And Interfacial Properties Of The Co<Sub>2</Sub> In Water Foams Prepared With Sodium Dodecyl Sulfate (Sds): A Molecular Dynamics Simulation Study
|
2019 |
15 |
artículo de investigación |
Colloids And Surfaces A Physicochemical And Engineering Aspects
|
WoS Scopus |
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Novel Fluorescent Schiff Bases As Al<Sup>3+</Sup> Sensors With High Selectivity And Sensitivity, And Their Bioimaging Applications
|
2019 |
24 |
artículo de investigación |
Materials Chemistry And Physics
|
WoS Scopus |
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Synthesis And Characterization Of 5,10,15,20 Tetrakis(4 Ethylphenyl)porphyrin And (Zn<Sup>2+</Sup>, Mn<Sup>2+</Sup>, Sn<Sup>2+</Sup>, Ni<Sup>2+</Sup>, Al<Sup>3+</Sup>, V<Sup>3+</Sup>) Derivatives: Photophysical And Dft Study
|
2019 |
4 |
artículo de investigación |
Chemistryselect
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WoS Scopus |
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Behavior Of The Sds/1 Butanol And Sds/2 Butanol Mixtures At The Water/<I>N</I> Octane Interface Through Molecular Dynamics Simulations
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2019 |
12 |
artículo de investigación |
Chemical Physics
|
WoS Scopus |
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Understanding The Aromaticity Of C<Sub>6</Sub>X<Sub>6</Sub> (X = H, F, Cl, Br, I). Insights From Different Theoretical Criteria
|
2019 |
2 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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New Triphenylamine Based Oligomeric Schiff Bases Containing Tetraphenylsilane Moieties In The Backbone
|
2019 |
14 |
artículo de investigación |
Polymers
|
WoS Scopus |
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Singlet Oxygen Photogeneration By Ethanolic Extract Of <I>Syzygium Cumini</I> Fruits: Theoretical Elucidation Through Excited States Computations
|
2019 |
6 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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Novel And Convenient Synthesis Of 2,7 Dialkyl 1,8 Dihydro <I>As</I> Indacenes
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2019 |
4 |
artículo de investigación |
Synthesis Stuttgart
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WoS Scopus |
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Bipodal Dyes With Bichromic Triphenylamine Architectures For Use In Dye Sensitized Solar Cell Applications
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2018 |
9 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Optical And Electronic Properties Of Benzopyrylium Derivatives. Theoretical Experimental Synergy Towards Novel Dss Cs Devices
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2019 |
12 |
artículo de investigación |
Dyes And Pigments
|
WoS Scopus |
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Photophysical Behaviour Of Bodipy Phenylacetylene Macrocyclic Dyads For Light Harvesting Applications
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2018 |
5 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Tuning The Molecular/Electronic Structure Of New Substituted Pyrazoles: Synthesis, Biological Trials, Theoretical Approaches And Hammett Correlations
|
2018 |
10 |
artículo de investigación |
Journal Of Molecular Structure
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WoS Scopus |
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Synthesis Of Au Nanoparticles Assisted By Linker Modified Ti O2 Nanoparticles
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2018 |
3 |
artículo de investigación |
Langmuir
|
WoS Scopus |
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Two New Fluorinated Phenol Derivatives Pyridine Schiff Bases: Synthesis, Spectral, Theoretical Characterization, Inclusion In Epichlorohydrin Beta Cyclodextrin Polymer, And Antifungal Effect
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2018 |
17 |
artículo de investigación |
Frontiers In Chemistry
|
WoS Scopus |
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Photocatalytic Degradation Of Methylene Blue By The Anderson Type Polyoxomolybdates/Ti O2 Thin Films
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2018 |
14 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Energy Storage And Transmission Expansion Planning: Substitutes Or Complements?
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2018 |
26 |
artículo de investigación |
Iet Generation Transmission & Distribution
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WoS Scopus |
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Improvement Of The Photocatalytic Activity Of Ti O2 Using Colombian Caribbean Species (Syzygium Cumini) As Natural Sensitizers: Experimental And Theoretical Studies
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2018 |
21 |
artículo de investigación |
Dyes And Pigments
|
WoS Scopus |
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Energy Conversion Process Of Substituted Phthalocyanines With Potential Application To Dssc: A Theoretical Study
|
2018 |
8 |
artículo de investigación |
Theoretical Chemistry Accounts
|
WoS Scopus |
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Exploring The Relevance Of Thiophene Rings As Bridge Unit In Acceptor Bridge Donor Dyes On Self Aggregation And Performance In Dss Cs
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2018 |
11 |
artículo de investigación |
Journal Of Computational Chemistry
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WoS Scopus |
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Bonding And Optical Properties Of Spirocyclic Phosphazene Derivatives. A Dft Approach
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2017 |
13 |
artículo de investigación |
Physical Chemistry Chemical Physics
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WoS Scopus |
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Influence Of Axle Length On The Rate And Mechanism Of Shuttling In Rigid H Shaped [2]Rotaxanes
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2017 |
27 |
artículo de investigación |
Chemical Science
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WoS Scopus |
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Synthesis, Characterization, Spectroscopic Properties And Dft Study Of A New Pyridazinone Family
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2017 |
6 |
artículo de investigación |
Journal Of Molecular Structure
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WoS Scopus |
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Study Of The Molecular Properties Of Mono And Binuclear Metal S Indacenyl Complexes With Ir, Rh, And Re: A Theoretical Approach
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2017 |
2 |
artículo de investigación |
Journal Of Chemistry
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WoS Scopus |
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Electrochemical And Theoretical Characterization Of The Electro Oxidation Of Dimethoxycurcumin
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2017 |
5 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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Dft Studies On Coordination Models For Adsorption Essays Of Cu(ii) And Ni(ii) Solutions In Modified Silica Gel With Iminodiacetic Groups
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2017 |
5 |
artículo de investigación |
Chemical Papers
|
WoS Scopus |
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Simulation Of Natural Dyes Adsorbed On Ti O2 For Photovoltaic Applications
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2017 |
17 |
artículo de investigación |
Solar Energy
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WoS Scopus |
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A Silver Coordination Cage Assembled From [Ag 2(bis(isoxazolyl))(3)]: Dft Approach To The Binding Forces Within The Host Guest Interactions
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2016 |
2 |
artículo de investigación |
Rsc Advances
|
WoS Scopus |
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Interaction Of Chalcones With Ct Dna By Spectrophotometric Analysis And Theoreticalsimulations
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2016 |
5 |
artículo de investigación |
Quimica Nova
|
WoS Scopus |
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A Family Of Substituted Hydrazonoisoxazolones With Potential Biological Properties
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2016 |
6 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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The Nature Of The Donor Motif In Acceptor Bridge Donor Dyes As An Influence In The Electron Photo Injection Mechanism In Dss Cs
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2016 |
37 |
artículo de investigación |
Journal Of Physical Chemistry A
|
WoS Scopus |
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Novel Schiff Base Self Condensed Oligomers In Complexation With Metallic Triflates Of Low Band Gap Properties
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2015 |
3 |
artículo de investigación |
Iranian Polymer Journal
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WoS Scopus |
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A Theoretical Study Of Substituted Indeno[1,2 B]Fluorene Compounds And Their Possible Applications In Solar Cells
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2015 |
10 |
artículo de investigación |
Chemical Physics Letters
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WoS Scopus |
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Bodipy Phenylacetylene Macrocycle Motifs For Enhanced Light Harvesting And Energy Transfer Applications
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2015 |
7 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Experimental And Theoretical Studies Of The Ancillary Ligand (E) 2 ((3 Amino Pyridin 4 Ylimino) Methyl) 4,6 Di Tert Butylphenol In The Rhenium(i) Core
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2015 |
19 |
artículo de investigación |
New Journal Of Chemistry
|
WoS Scopus |
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New 3,4,5 Trisubstituted Isoxazole Derivatives With Potential Biological Properties
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2015 |
6 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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Photophysics Of Tungsten Benzylidyne Complexes Derived From S Indacene: Synthesis, Characterization And Dft Studies
|
2015 |
9 |
artículo de investigación |
Rsc Advances
|
WoS Scopus |
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Effect Of Triphenylamine As Electron Donor Evenly Spaced In 2, 4, 6 And 8 Thiophene Units Of The Main Chain: Synthesis And Properties
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2015 |
4 |
artículo de investigación |
Polymer Bulletin
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WoS Scopus |
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Substituted Phenylhydrazono Derivatives Of Curcumin As New Ligands, A Theoretical Study
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2015 |
3 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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Synthesis, Characterization And Dft Study Of A New Family Of Pyrazole Derivatives
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2014 |
10 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Novel Mono And Heterobimetallic Chromium Nickel S Indacene Complexes: Synthesis, Characterization, And Dft Studies
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2014 |
7 |
artículo de investigación |
Canadian Journal Of Chemistry Revue Canadienne De Chimie
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WoS Scopus |
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Synthesis, Characterization And Computational Studies Of (E) 2 {[(2 Aminopyridin 3 Yl)imino] Methyl} 4,6 Di Tert Butylphenol
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2014 |
14 |
artículo de investigación |
Quimica Nova
|
WoS Scopus |
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Direct Spectroscopic Evidence For Constituent Heteroatoms Enhancing Charge Recombination At A Ti O2 Ruthenium Dye Interface
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2014 |
19 |
artículo de investigación |
Journal Of Physical Chemistry C
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WoS Scopus |
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Element Cycling During The Transition From Alkaline To Acidic Environment In An Active Porphyry Copper Tailings Impoundment, Chuquicamata, Chile
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2014 |
27 |
artículo de investigación |
Journal Of Geochemical Exploration
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WoS Scopus |
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Charge Transport Modeling In Bisphenazine Derivative Dimers As Discotic Liquid Crystals: A Tddft Study
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2014 |
2 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Role Of The Main Adsorption Modes In The Interaction Of The Dye [Cooh Tpp Zn(ii)] On A Periodic Ti O2 Slab Exposing A Rutile (110) Surface In A Dye Sentized Solar Cell
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2014 |
12 |
artículo de investigación |
Rsc Advances
|
WoS Scopus |
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Intramolecular And Lateral Intermolecular Hole Transfer At The Sensitized Ti O2 Interface
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2014 |
51 |
artículo de investigación |
Journal Of The American Chemical Society
|
WoS Scopus |
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Effect Over The Electronic Structure By Changing The Core Metals From Mo To W In A Family Of [Mo6 N Wn Cl8 F6](2 ) (N=0 6) Clusters
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2013 |
3 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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A Molecular Study Of Tetrakis(p Methoxyphenyl)porphyrin And Its Zn(ii) Complex As Discotic Liquid Crystals
|
2013 |
6 |
artículo de investigación |
International Journal Of Quantum Chemistry
|
WoS Scopus |
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Substituents Effect On The Electronic Structure And Molecular Properties Of Bis[Organohydrazido(2 )] Molybdenum(vi) Complexes
|
2013 |
2 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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A Family Of Octahedral Molybdenum Cluster Complexes [Mo6 Cl8(h2 O)(N)(Oh)(6 N)](N 2) With N=0 6 As A P H Sensors: A Theoretical Study
|
2013 |
8 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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Molecular Properties Of Two Related Families Of Substituted [Ru(2,2 ':6 ',2 '' Terpyridine)(2)](2+) For Application As Sensitizers In Dye Sensitized Solar Cells
|
2013 |
3 |
artículo de investigación |
Dyes And Pigments
|
WoS Scopus |
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Effects Of The Peripheral Substituents ( Nh2, Oh, Ch3, H, C6 H5, Cl, Co2 H And No2) On Molecular Properties Of A Ni Porphyrazine Dimers Family
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2013 |
5 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Theoretical Study Of Sensitizer Candidates For Dye Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine Phthalocyanine Complexes
|
2013 |
48 |
artículo de investigación |
Journal Of Physical Chemistry A
|
WoS Scopus |
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Quantum Dynamical Simulations As A Tool For Predicting Photoinjection Mechanisms In Dye Sensitized Ti O2 Solar Cells
|
2012 |
57 |
artículo de investigación |
Journal Of Physical Chemistry Letters
|
WoS Scopus |
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The Aromaticity Of The [Re 3(mu X)(3)x 9](3 ) Clusters, X = Cl, Br, I
|
2012 |
7 |
artículo de investigación |
Chemical Physics Letters
|
WoS Scopus |
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Substituents Effects On Two Related Families Of Dyes For Dye Sensitized Solar Cells: [Ru(4,4 ' R,R 2,2 ' Bpy)(3)](2+) And [Ru(4,4 ' Cooh 2,2 ' Bpy)(4,4 ' R,R 2,2 ' Bpy)(2)](2+)
|
2012 |
9 |
artículo de investigación |
Journal Of Physical Chemistry A
|
WoS Scopus |
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Photophysical Properties Of [Cu(binap)(2)](+) And [Pd(binap)(2)] Complexes: A Theoretical Study
|
2012 |
10 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Electronic Structure And Molecular Properties Of Paramagnetic Hexanuclear Tantalum [Ta6 X12 Y6](3 ) (X And Y = F, Cl, Br, I) Cluster Compounds
|
2012 |
2 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Interrogation Of Electrocatalytic Water Oxidation Mediated By A Cobalt Complex
|
2012 |
113 |
artículo de investigación |
Chemical Communications
|
WoS Scopus |
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Regioselective C H Activation Of Cyclometalated Bis Tridentate Ruthenium Complexes
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2011 |
7 |
artículo de investigación |
Organometallics
|
WoS Scopus |
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A Trisheteroleptic Cyclometalated Ru Ii Sensitizer That Enables High Power Output In A Dye Sensitized Solar Cell
|
2011 |
118 |
artículo de investigación |
Angewandte Chemie International Edition
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WoS Scopus |
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A Dft/Tddft Study Of Porphyrazines And Phthalocyanine Oxo Titanium Derivatives As Potential Dyes In Solar Cells
|
2011 |
16 |
artículo de investigación |
International Journal Of Quantum Chemistry
|
WoS Scopus |
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Adsorption Essays Of Palladium In Modified Silica Gel With Thiouronium Groups: Experimental And Theorical Studies
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2011 |
8 |
artículo de investigación |
Journal Of The Chilean Chemical Society
|
WoS SciELO Scopus |
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Systematic Modulation Of A Bichromic Cyclometalated Ruthenium(ii) Scaffold Bearing A Redox Active Triphenylamine Constituent
|
2011 |
56 |
artículo de investigación |
Inorganic Chemistry
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WoS Scopus |
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Relativistic Scalar And Spin Orbit Density Functional Calculations Of The Electronic Structure, Nics Index And Elf Function Of The [Re 2(co)(8)(Mu Bi Ph)(2)] And [Re 2(co)(8)(Mu Bi Ph2)(2)] Clusters
|
2011 |
6 |
artículo de investigación |
Polyhedron
|
WoS Scopus |
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Dft Study On The Electronic Structure, Energetics And Spectral Properties Of Several Bis(organohydrazido(2 )) Molybdenum Complexes Containing Substituted Phosphines And Chloro Atoms As Ancillary Ligands
|
2010 |
7 |
artículo de investigación |
Journal Of Molecular Structure: Theochem
|
WoS Scopus |
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Facile Synthesis Of Isoxazoles And Pyrazoles From Beta Diketohydrazones
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2009 |
14 |
artículo de investigación |
Journal Of The Chilean Chemical Society
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WoS SciELO Scopus |
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Quantum Chemical Elucidation Of The Turn On Luminescence Mechanism In Two New Schiff Bases As Selective Chemosensors Of Zn<Sup>2+</Sup>: Synthesis, Theory And Bioimaging Applications (Vol 9, Pg 30778, 2019)
|
2019 |
0 |
corrección |
Rsc Advances
|
WoS Scopus |
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Effects Of The Acceptor Unit In Dyes With Acceptor Bridge Donor Architecture On The Electron Photo Injection Mechanism And Aggregation In Dss Cs
|
2016 |
17 |
artículo de investigación |
Physical Chemistry Chemical Physics
|
WoS Scopus |
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Ti O<Sub>2</Sub> Thin Films Sensitization With Natural Dyes Extracted From <I>Bactris Guineensis</I> For Photocatalytic Applications: Experimental And Dft Study
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2020 |
16 |
artículo de investigación |
Journal Of Saudi Chemical Society
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WoS Scopus |
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New Thiophene Based Poly(azomethine)s Bearing Tetraphenylsilane Moieties Along Their Backbone. Optical, Electronic, Thermal Properties And Theoretical Calculations
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2020 |
12 |
artículo de investigación |
European Polymer Journal
|
WoS Scopus |
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Structural And Interfacial Properties Of The Co<Sub>2</Sub> In Water Foams Prepared With Sodium Dodecyl Sulfate (Sds): A Molecular Dynamics Simulation Study (Vol 578, 615, 2019)
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2020 |
0 |
corrección |
Colloids And Surfaces A Physicochemical And Engineering Aspects
|
WoS Scopus |
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Facile Synthesis Of Isoxazoles And Pyrazoles From β Diketohydrazones
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2009 |
0 |
artículo de investigación |
Journal Of The Chilean Chemical Society
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SciELO Scopus WoS |
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Theoretical Study Of Aromatic Antiaromatic Pairs As Material In Organic Solar Cells Of Double Light Harvesting
|
2016 |
3 |
artículo de investigación |
Chemical Physics Letters
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WoS Scopus |
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New Sensitive And Selective Chemical Sensors For Ni<Sup>2+</Sup> And Cu<Sup>2+</Sup> Ions: Insights Into The Sensing Mechanism Through Dft Methods
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2020 |
7 |
artículo de investigación |
Journal Of Physical Chemistry A
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WoS Scopus |
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Sensing Mechanism Elucidation Of A Chemosensor Based On Ametal Organicframework Selective To Explosive Aromatic Compounds
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2020 |
10 |
artículo de investigación |
International Journal Of Quantum Chemistry
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WoS Scopus |
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Design, Characterization And Quantum Chemical Computations Of A Novel Series Of Pyrazoles Derivatives With Potential Anti Proinflammatory Response
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2020 |
3 |
artículo de investigación |
Arabian #Journal Of Chemistry
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WoS Scopus |
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Magnetic Response And Its Relation To The Keto Enol Tautomerism Of 3,3′ (1,4 Phenylene)bis(pentane 2,4 Dione): Experimental And Theoretical Insights
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2020 |
0 |
artículo de investigación |
International Journal Of Quantum Chemistry
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WoS Scopus |
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Sensing Mechanism Elucidation Of A Europium(iii) Metal–Organic Framework Selective To Aniline: A Theoretical Insight By Means Of Multiconfigurational Calculations
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2020 |
21 |
artículo de investigación |
Journal Of Computational Chemistry
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WoS Scopus |
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Alkoxide Structure Effect On Size And Size Distribution Of Ag, Au And Ag@Au Nanoparticles, Prepared Via Alkoxide Mild Reduction In Water
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2020 |
1 |
artículo de investigación |
Materials Science And Engineering B Advanced Functional Solid State Materials
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WoS Scopus |
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Furanyl Chalcone Derivatives As Efficient Singlet Oxygen Quenchers. An Experimental And Dft/Mrci Study
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2020 |
3 |
artículo de investigación |
Tetrahedron
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WoS Scopus |
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Effect Of Triton X 100 Surfactant On The Interfacial Activity Of Ionic Surfactants Sds, Ctab And Sdbs At The Air/Water Interface: A Study Using Molecular Dynamic Simulations
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2020 |
24 |
artículo de investigación |
Colloids And Surfaces A Physicochemical And Engineering Aspects
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WoS Scopus |
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Highly Efficient Hydrogen Evolution Reaction, Plasmon Enhanced By Au Np L Ti O<Sub>2</Sub>Np Photocatalysts
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2020 |
3 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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A New Approach To The Mechanism For The Acetalization Of Benzaldehyde Over Mof Catalysts
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2020 |
4 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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Exploring Ui O 66(zr) Frameworks As Nanotraps For Highly Efficient Removal Of Edta Complexed Heavy Metals From Water
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2021 |
18 |
artículo de investigación |
Journal Of Environmental Chemical Engineering
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WoS Scopus |
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Selective Oxofunctionalization Of Cyclohexene Over Titanium Dioxide Based And Bismuth Oxyhalide Photocatalysts By Visible Light Irradiation
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2020 |
4 |
artículo de investigación |
Catalysts
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WoS Scopus |
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Fluorescence <I>Turn</I> <I>On</I> And <I>Turn</I> <I>Off</I> Mechanisms Of A Dual Selective Chemosensor Of Bi<Sup>3+</Sup> And P H Changes: Insights From A Theoretical Perspective
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2021 |
10 |
artículo de investigación |
Dyes And Pigments
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WoS Scopus |
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Modulation Of Co<Sub>2</Sub> Adsorption In Novel Pillar Layered Mo Fs Based On Carboxylate Pyrazole Flexible Linker
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2021 |
5 |
artículo de investigación |
Dalton Transactions
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WoS Scopus |
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Revising The Formation And Electronic Properties In Flavylium Derivatives. A Theoretical Tandem Towards Optimized Dss Cs
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2021 |
1 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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Novel Germanium Based σ π Conjugated Oligourethanes Containing Dibenzofuran Moieties In The Backbone: Thermal, Optical, Electronic Properties And Theoretical Simulations
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2021 |
3 |
artículo de investigación |
European Polymer Journal
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WoS Scopus |
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Zn(ii) Tetracarboxy Phthalocyanine Sensitized Ti O<Sub>2</Sub> Thin Films As Antimicrobial Agents Under Visible Irradiation: A Combined Dft And Experimental Study
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2021 |
6 |
artículo de investigación |
Acs Omega
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WoS Scopus |
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Photodynamic Effect Of 5,10,15,20 Tetrakis(4 Carboxyphenyl)porphyrin And (Zn<Sup>2+</Sup> And Sn<Sup>4+</Sup>) Derivatives Against <I>Leishmania</I> Spp In The Promastigote Stage: Experimental And Dft Study
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2021 |
5 |
artículo de investigación |
Chemical Papers
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WoS Scopus |
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Insights Into The Selective Sensing Mechanism Of A Luminescent Cd(ii) Based Mof Chemosensor Toward Na Cs: Roles Of The Host Guest Interactions And Pet Processes
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2021 |
11 |
artículo de investigación |
Journal Of Materials Science
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WoS Scopus |
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The Role Played By Structural And Energy Parameters Of ? Diketones Derivatives As Antenna Ligands In Eu(iii) Complexes
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2021 |
16 |
artículo de investigación |
Chemical Physics Letters
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WoS Scopus |
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Insights Into Hydrodeoxygenation Of Furfural And Guaiacol Mixture: Experimental And Theoretical Studies
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2021 |
5 |
artículo de investigación |
Journal Of Physical Chemistry C
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WoS Scopus |
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Organotin Schiff Bases As Halofluorochromic Dyes: Green Synthesis, Chemio Photophysical Characterization, Dft, And Their Fluorescent Bioimaging <I>In Vitro</I>
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2021 |
11 |
artículo de investigación |
Journal Of Materials Chemistry B
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WoS Scopus |
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Experimental And Dft Study Of Natural Curcumin Derived Dyes As N Type Sensitizers
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2021 |
4 |
artículo de investigación |
Solar Energy
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WoS Scopus |
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Structure And Electronic Properties Of Benzimidazole And Cycloheptaimidazole Gold <I>N</I> Heterocyclic Carbenes
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2021 |
2 |
artículo de investigación |
Polyhedron
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WoS Scopus |
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Theoretical And Kinetic Study Of The Singlet Oxygen Quenching Reaction By Hesperidin Isolated From Mandarin (<I>Citrus Reticulata</I>) Fruit Peels
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2022 |
0 |
artículo de investigación |
Chemical Papers
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WoS Scopus |
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Electro Reduced Graphene Oxide Nanosheets Coupled With Ru Au Bimetallic Nanoparticles For Efficient Hydrogen Evolution Electrocatalysis
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2021 |
24 |
artículo de investigación |
Chemical Engineering Journal
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Conversion Of Levulinic Acid Over Ag Substituted La Co O<Sub>3</Sub> Perovskite
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2021 |
16 |
artículo de investigación |
Fuel
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WoS Scopus |
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Cyanobacterial Biomass As A Potential Biosorbent For The Removal Of Recalcitrant Dyes From Water
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2021 |
3 |
artículo de investigación |
Water
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Photophysical Characterization And In Vitro Anti Leishmanial Effect Of 5,10,15,20 Tetrakis(4 Fluorophenyl) Porphyrin And The Metal (Zn(ii), Sn(iv), Mn(iii) And V(iv)) Derivatives
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2022 |
3 |
artículo de investigación |
Biometals
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WoS Scopus |
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Revisiting Cyclophanes: Experimental Characterization And Theoretical Elucidation Of The Chain Length Influence On Their Structure And Reactivity
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2022 |
1 |
artículo de investigación |
New Journal Of Chemistry
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WoS Scopus |
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A Novel Series Of Pyrazole Derivatives Toward Biological Applications: Experimental And Conceptual Dft Characterization
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2022 |
1 |
artículo de investigación |
Molecular Diversity
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WoS Scopus |
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Design Of New Porous Supramolecular Arrays From Flavyliums Derivative Linker. A Theoretical Assemble Toward Surface Properties
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2022 |
0 |
artículo de investigación |
Computational Materials Science
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WoS Scopus |
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Understanding The Deactivating/Activating Mechanisms In Three Optical Chemosensors Based On Crown Ether With Na<Sup>+</Sup>/K<Sup>+</Sup> Selectivity Using Quantum Chemical Tools
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2022 |
0 |
artículo de investigación |
Chemphyschem
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WoS Scopus |
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Photocatalytic Degradation Of Methylene Blue Under Visible Light Using Ti O<Sub>2</Sub> Thin Films Impregnated With Porphyrin And Anderson Type Polyoxometalates (Cu And Zn)
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2022 |
3 |
artículo de investigación |
Catalysts
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WoS Scopus |
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Schiff Bases And Multidentate Organic Compounds As Fluorescent Sensors Of Al3+: Photophysical, Fluorescent Bioimaging And The Mechanisms
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2022 |
0 |
revisión |
European Journal Of Organic Chemistry
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WoS Scopus |
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Expanding The Knowledge Of The Selective Sensing Mechanism Of Nitro Compounds By Luminescent Terbium Metal Organic Frameworks Through Multiconfigurational Ab Initio Calculations
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2022 |
5 |
artículo de investigación |
Journal Of Physical Chemistry A
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WoS Scopus |
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Tetraphenylsilane Based Oligo(azomethine)s Containing 3,4 Ethylenedioxy Thiophene Units Along Their Backbone: Optical, Electronic, Thermal Properties And Computational Simulations
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2022 |
0 |
artículo de investigación |
European Polymer Journal
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WoS Scopus |
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Evaluation Of The Affinity Of Asphaltene Molecular Models A1 And A2 By The Water/Oil Interfaces Based On A Novel Concept Of Solubility Parameter Profiles Obtained From Md Simulations
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2023 |
3 |
artículo de investigación |
Journal Of Molecular Liquids
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WoS Scopus |
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Sequential Sol Gel Self Assembly And Nonclassical Gel Crystal Transformation Of The Metal Organic Framework Gel
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2023 |
0 |
artículo de investigación |
Small
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WoS Scopus |
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Tunning The Optical Properties Of A Photocatalytic Metal Organic Framework By Means Of Molecular Modelling
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2023 |
0 |
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New Journal Of Chemistry
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WoS Scopus |
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Computational Design And Properties Elucidation Of New (Fa Pb I3)1,X Y(ma Pb Br3)y(cs Pb Br3)x Photoactive Systems For Their Application In Perovskite Solar Cells
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2023 |
1 |
artículo de investigación |
Materials Today Communications
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WoS Scopus |
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Photocatalytic Study Of Ti O2 Thin Films Modified With Anderson Type Polyoxometalates (Cr, Co And Ni): Experimental And Dft Study
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2023 |
1 |
artículo de investigación |
Polyhedron
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WoS Scopus |
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Structure And Electronic Properties Of Metalloboranes With General Formula Cp 3(mu H)m3 B8 H8 (M=Cr, Mo And W): The Effect Of The Size Of The Metal
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2022 |
0 |
artículo de investigación |
Chemistryselect
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Influence Of Li Ta O<Sub>3</Sub>(0001) And K Ta O<Sub>3</Sub>(001) Perovskites Structures On The Molecular Adsorption Of Styrene And Styrene Oxide: A Theoretical Insight By Periodic Dft Calculations
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2022 |
0 |
artículo de investigación |
Chemphyschem
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Polymers Of Intrinsic Microporosity Containing Aryl Phthalimide Moieties: Synthesis, Modeling, And Membrane Gas Transport Properties
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2023 |
0 |
artículo de investigación |
Polymer Chemistry
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WoS Scopus |
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Theoretical And Experimental Study For Cross Coupling Aldol Condensation Over Mono And Bimetallic Ui O 66 Nanocatalysts
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2023 |
0 |
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Acs Applied Nano Materials
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Modification Of A Commercial Activated Carbon With Nitrogen And Boron: Hydrogen Storage Application
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2023 |
1 |
artículo de investigación |
Journal Of Energy Storage
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WoS Scopus |
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Rare Earth Based Metal–Organic Frameworks With Improved Visible Light Harvesting Properties: A Quantum Chemistry Study
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2023 |
0 |
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Journal Of Materials Science
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WoS Scopus |
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Tuning The Sensitization Pathway T1→5 Dj In Eu Based Mof Through Modification Of The Antenna Ligand. A Theoretical Approach Via Multiconfigurational Quantum Calculations
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2023 |
0 |
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Journal Of Luminescence
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WoS Scopus |
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Improved Stability And Activity Of Laccase Through <I>De Novo</I> And Post Synthesis Immobilization On A Hierarchically Porous Metal Organic Framework (Zif 8)
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2023 |
0 |
artículo de investigación |
Rsc Advances
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WoS Scopus |
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Photophysical Characterization Of Tetrahydroxyphenyl Porphyrin Zn(ii) And V(iv) Complexes: Experimental And Dft Study
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2023 |
0 |
artículo de investigación |
Biometals
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WoS Scopus |
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The Ferryl Generation By Fenton Reaction Driven By Catechol
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2023 |
0 |
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Chemosphere
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Scopus WoS |
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Adsorption And Photocatalytic Degradation Of Methylene Blue On Ti O2 Thin Films Impregnated With Anderson Evans Al Polyoxometalates: Experimental And Dft Study
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2023 |
0 |
artículo de investigación |
Acs Omega
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WoS Scopus |
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The Development Of Au Titania Photoanode Composites Toward Semiflexible Dye Sensitized Solar Cells
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2023 |
0 |
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Solar Energy
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A Computational Chemistry Approach To The Molecular Design Of Si O2 Nanoparticles Coated With Stearic Acid And Sodium Stearate In Ethanol Solvent.
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2023 |
0 |
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Colloids And Surfaces A Physicochemical And Engineering Aspects
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WoS Scopus |
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Quantum Mechanical Study Of A Mo2(cyclam)+ Complexes Series With M = Mn, Tc, Re
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2024 |
0 |
artículo de investigación |
Computational And Theoretical Chemistry
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β Cyclodextrin And Adamantane Polyacrylic Acid Copolymers As Supramolecular Binder For Silicon Anodes: N Methylpyrrolidone Or Water For Preparing The Slurries?
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2024 |
0 |
artículo de investigación |
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WoS Scopus |
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Thiophene And Bithiophene Based ? Conjugated Schiff Base Oligomers Containing Binaphthalene Moieties In The Backbone. Properties And Computational Simulations
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2024 |
0 |
artículo de investigación |
Polymer Chemistry
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WoS Scopus |
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Synthesis And Theoretical Study Of A New Family Of Pyrazole Derivative
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2024 |
0 |
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Journal Of Molecular Structure
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WoS Scopus |
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New Polyaniline Derivative With Two Central Ester Groups: Synthesis, Characterization, And Theoretical Study
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2023 |
0 |
artículo de investigación |
Acs Omega
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WoS Scopus |
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A New Zero Dimensional (0 D) Hybrid Bismuth (Iii) Halide: Synthesis, Crystal Structure, Thermal Analysis, Photophysical Properties And Dft Calculations
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2024 |
0 |
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Journal Of Molecular Structure
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WoS Scopus |
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Adsorption Properties Of M Ui O 66 (M = Zr(iv); Hf(iv) Or Ce(iv)) With Bdc Or Pdc Linker
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2024 |
0 |
artículo de investigación |
Dalton Transactions
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Furfural Adsorption On V2 O5 Surface: A Combined Experimental Theoretical Study
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2024 |
0 |
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Chemical Physics Letters
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Unveiling The Hydrophilic Nature Of Sds Surfactant Through Molecular Simulations: Exploring The Influence Of Charge Distribution On Interfacial Properties In The Vacuum/Sds/Water System
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2024 |
0 |
artículo de investigación |
Journal Of Molecular Liquids
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Removal And Photocatalytic Degradation Of Methylene Blue On Zr O2 Thin Films Modified With Anderson Polioxometalates (Cr3+, Co3+, Cu2+): An Experimental And Theoretical Study
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2024 |
0 |
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Journal Of Photochemistry And Photobiology A Chemistry
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Cyanobacterial Pigment Adsorbed On Ti O2 Thin Films
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0 |
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Colloids And Surfaces A Physicochemical And Engineering Aspects
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Electronic Pathway Of The Exciplex Emitters. Unraveling The Emission Properties From Theoretical Calculations
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0 |
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Journal Of Photochemistry And Photobiology A Chemistry
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Synthesis, Structure, And Luminescence Properties Of A 0 D Organic Inorganic Cadmium Iodide: Combined Experimental And Theoretical Approach
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2024 |
0 |
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Journal Of Molecular Structure
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Ui O 66(zr) As Drug Delivery System For Non Steroidal Anti Inflammatory Drugs
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0 |
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Journal Of Controlled Release
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Organic Radicals Stabilization In Natural Rubber: Discerning The Influence Of Thermo Oxidation Using Chemically Modified Or Unmodified Lignin As Antioxidant
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0 |
artículo de investigación |
Journal Of Industrial And Engineering Chemistry
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WoS Scopus |
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Tunable Optical Properties Of Isoreticular Ui O 67 Mo Fs For Photocatalysis: A Theoretical Study
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2024 |
0 |
artículo de investigación |
Dalton Transactions
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WoS Scopus |
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Antimicrobial Activity Against Fusarium Oxysporum F. Sp. Dianthi Of Ti O2/Zn O Thin Films Under Uv Irradiation: Experimental And Theoretical Study
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2024 |
0 |
artículo de investigación |
Acs Omega
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WoS Scopus |
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Assessing The Electronic Properties Of Bimetallic Complexes With N M N M Cycle (M = Ag, Au And Cu)
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2024 |
0 |
artículo de investigación |
Computational And Theoretical Chemistry
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Methylxanthines For Halogen Bonded Cocrystals With 1,4 Diiodotetrafluorobenzene: Green Synthesis, Structure, Photophysics And Dft Studies
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2024 |
0 |
artículo de investigación |
Crystengcomm
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WoS Scopus |
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Nitrogen Enriched Flexible Metal Organic Framework For Co2 Adsorption
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2024 |
0 |
artículo de investigación |
Dalton Transactions
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WoS Scopus |
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New Pillar Mof With Nitrogen Donor Sites For Co2 Adsorption
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2024 |
0 |
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Crystal Growth & Design
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WoS Scopus |
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Thermodynamic Study Of Mehtylene Blue Adsorption And Photocatalytic Degradation On The N Doped Ti O2 Thin Films: A Dft And Experimental Study
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2024 |
0 |
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Chemistryselect
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Scopus WoS |
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Catalytic Evaluation Of Mof 808 With Metallic Centers Of Zr(iv), Hf(iv) And Ce(iv) In The Acetalization Of Benzaldehyde With Methanol
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2024 |
0 |
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Dalton Transactions
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Scopus WoS |
