Lista de obras -

A Combined Experimental and Computational Investigation on Spectroscopic and Photophysical Properties of a Coumarinyl Chalcone.

artículo científico publicado en 2016

A systematic study of the effects of thionation in naphthalene dimide derivatives to tune their nonlinear optical properties

scientific article published on 26 November 2018

A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19

artículo científico publicado en 2023

AIE active multianalyte fluorescent probe for the detection of Cu2+, Ni2+ and Hg2+ ions

scientific article published on 27 April 2018

AIE active turn-off fluorescent probe for the detection of Cu2+ ions.

artículo científico publicado en 2017

An unexpected reactivity during periodate oxidation of chitosan and the affinity of its 2, 3-di-aldehyde toward sulfa drugs.

artículo científico publicado en 2017

Colorimetric Sensing of Toxic Metal and Antibacterial Studies by Using Bioextract Synthesized Silver Nanoparticles.

artículo científico publicado en 2017

Composite CuFe1-xSnxO2/p-type silicon photodiodes.

artículo científico publicado en 2017

Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivatives

artículo científico publicado en 2017

Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments

artículo científico publicado en 2015

Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategy

artículo científico publicado en 2015

Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

artículo científico publicado en 2018

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study.

artículo científico publicado en 2017

First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.

artículo científico publicado en 2016

Green material: ecological importance of imperative and sensitive chemi-sensor based on Ag/Ag2O3/ZnO composite nanorods

artículo científico publicado en 2013

Highly efficient donor-acceptor hydrazone dyes-inorganic Si/TiO₂ hybrid solar cells

artículo científico publicado en 2015

How does the increment of hetero-cyclic conjugated moieties affect electro-optical and charge transport properties of novel naphtha-difuran derivatives? A computational approach

artículo científico publicado en 2014

Investigating the coumarin capability in chalcogenide 20TI2Se-80Pr2Se3 system based photovoltaics

artículo científico publicado en 2018

Mercerization effect on structure and electrical properties of cellulose: Development of a novel fast Na-ionic conductor

scientific article published on 30 May 2019

Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: a first principles study.

artículo científico publicado en 2013

Optoelectronic properties of naphtho[2, 1-b:6, 5-b']difuran derivatives for photovoltaic application: a computational study.

artículo científico publicado en 2016

Peculiar behavior of starch 2,3-dialdehyde towards sulfanilamide and sulfathiazole.

artículo científico publicado en 2016

Photophysics of Dihydroquinazolinone Derivatives: Experimental and Theoretical Studies

artículo científico publicado en 2017

Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis

artículo científico publicado en 2020

Quantum chemical study of the donor-bridge-acceptor triphenylamine based sensitizers

artículo científico publicado en 2013

Quinazolinone derivative: Model compound for determination of dipole moment, solvatochromism and metal ion sensing

artículo científico publicado en 2016

Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials.

artículo científico publicado en 2016

Spectroscopic investigation, photophysical parameters and DFT calculations of 4,4'-(1E,1'E)-2,2'-(pyrazine-2,5-diyl)bis(ethene-2,1-diyl)bis(N,N-dimethylaniline) (PENDA) in different solvents.

artículo científico publicado en 2015

Structural Insight of Anthracene Orientation by Halogen Substitution: Impact on Solid-State Fluorescence and Stimuli-Induced Fluorescence Switching

artículo científico publicado en 2022

Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives

scientific article published on 14 November 2019

Synthesis of mesoporous sulfur-doped Ta2O5 nanocomposites and their photocatalytic activities.

artículo científico publicado en 2016

Synthesis, characterization and density functional theory investigations of the electronic, photophysical and charge transfer properties of donor-bridge-acceptor triaminopyrazolo[1,5-a]pyrimidine dyes.

artículo científico publicado en 2013

Synthesis, characterization and quantum chemical ab initio calculations of new dimeric aminocyclodiphosph(V)azane and its Co(II), Ni(II) and Cu(II) complexes ⬇️

artículo científico publicado el 21 de abril de 2012

The Role of Strain in the Homoaromatization of Semibullvalenes.

artículo científico publicado en 2017

The impact of position and number of methoxy group(s) to tune the nonlinear optical properties of chalcone derivatives: a dual substitution strategy

artículo científico publicado en 2016

The substitution effect of heterocyclic rings to tune the optical and nonlinear optical properties of hybrid chalcones: A comparative study

artículo científico publicado en 2018

Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins

artículo científico publicado en 2018

Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives.

artículo científico publicado en 2016

Waste paper derived three-dimensional carbon aerogel integrated with ceria/nitrogen-doped reduced graphene oxide as freestanding anode for high performance and durable microbial fuel cells

scientific article published on 29 October 2019

Lista de obras de

A Combined Experimental and Computational Investigation on Spectroscopic and Photophysical Properties of a Coumarinyl Chalcone.

A systematic study of the effects of thionation in naphthalene dimide derivatives to tune their nonlinear optical properties

A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19

AIE active multianalyte fluorescent probe for the detection of Cu2+, Ni2+ and Hg2+ ions

AIE active turn-off fluorescent probe for the detection of Cu2+ ions.

An unexpected reactivity during periodate oxidation of chitosan and the affinity of its 2, 3-di-aldehyde toward sulfa drugs.

Colorimetric Sensing of Toxic Metal and Antibacterial Studies by Using Bioextract Synthesized Silver Nanoparticles.

Composite CuFe1-xSnxO2/p-type silicon photodiodes.

Computational study of structural, optoelectronic and nonlinear optical properties of dynamic solid-state chalcone derivatives

Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments

Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategy

Exploring the novel donor-nanotube archetype as an efficient third-order nonlinear optical material: asymmetric open-shell carbon nanotubes

Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study.

First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones.

Green material: ecological importance of imperative and sensitive chemi-sensor based on Ag/Ag2O3/ZnO composite nanorods

Highly efficient donor-acceptor hydrazone dyes-inorganic Si/TiO₂ hybrid solar cells

How does the increment of hetero-cyclic conjugated moieties affect electro-optical and charge transport properties of novel naphtha-difuran derivatives? A computational approach

Investigating the coumarin capability in chalcogenide 20TI2Se-80Pr2Se3 system based photovoltaics

Mercerization effect on structure and electrical properties of cellulose: Development of a novel fast Na-ionic conductor

Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: a first principles study.

Optoelectronic properties of naphtho[2, 1-b:6, 5-b']difuran derivatives for photovoltaic application: a computational study.

Peculiar behavior of starch 2,3-dialdehyde towards sulfanilamide and sulfathiazole.

Photophysics of Dihydroquinazolinone Derivatives: Experimental and Theoretical Studies

Potential of NO donor furoxan as SARS-CoV-2 main protease (Mpro) inhibitors: in silico analysis

Quantum chemical study of the donor-bridge-acceptor triphenylamine based sensitizers

Quinazolinone derivative: Model compound for determination of dipole moment, solvatochromism and metal ion sensing

Role of a singlet diradical character in carbon nanomaterials: a novel hot spot for efficient nonlinear optical materials.

Spectroscopic investigation, photophysical parameters and DFT calculations of 4,4'-(1E,1'E)-2,2'-(pyrazine-2,5-diyl)bis(ethene-2,1-diyl)bis(N,N-dimethylaniline) (PENDA) in different solvents.

Structural Insight of Anthracene Orientation by Halogen Substitution: Impact on Solid-State Fluorescence and Stimuli-Induced Fluorescence Switching

Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives

Synthesis of mesoporous sulfur-doped Ta2O5 nanocomposites and their photocatalytic activities.

Synthesis, characterization and density functional theory investigations of the electronic, photophysical and charge transfer properties of donor-bridge-acceptor triaminopyrazolo[1,5-a]pyrimidine dyes.

Synthesis, characterization and quantum chemical ab initio calculations of new dimeric aminocyclodiphosph(V)azane and its Co(II), Ni(II) and Cu(II) complexes ⬇️

The Role of Strain in the Homoaromatization of Semibullvalenes.

The impact of position and number of methoxy group(s) to tune the nonlinear optical properties of chalcone derivatives: a dual substitution strategy

The substitution effect of heterocyclic rings to tune the optical and nonlinear optical properties of hybrid chalcones: A comparative study

Theoretical Study on Open-Shell Singlet Character and Second Hyperpolarizabilities in Cofacial π-Stacked Dimers Composed of Weak Open-Shell Antiaromatic Porphyrins

Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives.

Waste paper derived three-dimensional carbon aerogel integrated with ceria/nitrogen-doped reduced graphene oxide as freestanding anode for high performance and durable microbial fuel cells