Lista de obras -

A Fully Conjugated Planar Heterocyclic [9]Circulene

artículo científico publicado en 2020

Aromaticity of Even-Number Cyclo[n]carbons (n = 6-100)

artículo científico publicado en 2020

Atomistic description of plasmonic generation in alloys and core shell nanoparticles

artículo científico publicado en 2020

Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs

scientific article published on 01 March 2020

Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils

scientific article published on 28 February 2020

Computational study of aromaticity, 1H NMR spectra and intermolecular interactions of twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives

artículo científico publicado en 2019

Core/Shell NaGdF4:Nd3+/NaGdF4 Nanocrystals with Efficient Near-Infrared to Near-Infrared Downconversion Photoluminescence for Bioimaging Applications ⬇️

artículo científico publicado el 14 de marzo de 2012

Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling

artículo científico publicado en 2019

Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling.

artículo científico publicado en 2018

Divalent Pseudorotaxane with Polarized Plug-Socket and Padlock Functions

artículo científico publicado en 2018

Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies.

artículo científico publicado en 2017

Effect of Familial Mutations on the Interconversion of α-Helix to β-Sheet Structures in an Amyloid-Forming Peptide: Insight from Umbrella Sampling Simulations

scientific article published on 14 January 2019

Efficient Ambient Electrocatalytic Ammonia Synthesis by Nanogold Triggered via Boron Clusters Combined with Carbon Nanotubes

scientific article published on 14 September 2020

Efficient Solar Cells Based on Porphyrin Dyes with Flexible Chains Attached to the Auxiliary Benzothiadiazole Acceptor: Suppression of Dye Aggregation and the Effect of Distortion.

artículo científico publicado en 2017

Expanded N-Confused Phlorin: A Platform for a Multiply Fused Polycyclic Ring System via Oxidation within the Macrocycle

scientific article published on 28 September 2020

Far-Zone Resonant Energy Transfer in X-ray Photoemission as a Structure Determination Tool.

artículo científico publicado en 2017

First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids

artículo científico publicado en 2020

Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement

scientific article published on 12 October 2018

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2

artículo científico publicado en 2020

Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.

artículo científico publicado en 2017

Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates

artículo científico publicado en 2021

Mechanism for the Extremely Efficient Sensitization of Yb3+Luminescence in CsPbCl3 Nanocrystals

scientific article published on 17 January 2019

Microlens array enhanced upconversion luminescence at low excitation irradiance

scientific article published on 17 July 2019

Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence

artículo científico publicado en 2020

N-Confused Hexapyrrolic Phlorinoid with NIR Absorption: Synthesis, Fusion, Oxidation, and Copper(II) Coordination

artículo científico publicado en 2020

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones

artículo científico publicado en 2017

Odd-Number Cyclo[n]Carbons Sustaining Alternating Aromaticity

artículo científico publicado en 2022

One-step solvothermal synthesis of high-emissive amphiphilic carbon dots via rigidity derivation.

artículo científico publicado en 2017

Plasmonic nano-shells: atomistic discrete interaction versus classic electrodynamics models

artículo científico publicado en 2020

Role of surface ligands in optical properties of colloidal CdSe/CdS quantum dots ⬇️

artículo científico publicado el 16 de febrero de 2011

Solvent Dependence of Structure, Charge Distribution, and Absorption Spectrum in the Photochromic Merocyanine−Spiropyran Pair ⬇️

artículo científico publicado el 21 de marzo de 2011

Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character ⬇️

artículo científico publicado el 21 de septiembre de 2010

Spontaneous Decomposition of Fluorinated Phosphorene and Its Stable Structure

scientific article published on 05 November 2019

Structural stability of single-layer PdSe2 with pentagonal puckered morphology and its nanotubes

scientific article published on 14 April 2020

The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation ⬇️

artículo científico publicado el 16 de septiembre de 2011

The carbon and oxygen K-edge NEXAFS spectra of CO

artículo científico publicado en 2020

Theory and Calculation of the Phosphorescence Phenomenon

artículo científico publicado en 2017

Twisted π-System Chromophores for All-Optical Switching ⬇️

artículo científico publicado el 7 de abril de 2011

Two-Dimensional Gold Halides: Novel Semiconductors with Giant Spin-Orbit Splitting and Tunable Optoelectronic Properties

artículo científico publicado en 2020

Ultraefficient Singlet Oxygen Generation from Manganese-Doped Cesium Lead Chloride Perovskite Quantum Dots

scientific article published on 17 August 2020

Lista de obras de

A Fully Conjugated Planar Heterocyclic [9]Circulene

Aromaticity of Even-Number Cyclo[<i>n</i>]carbons (<i>n</i> = 6-100)

Atomistic description of plasmonic generation in alloys and core shell nanoparticles

Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs

Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils

Computational study of aromaticity, 1H NMR spectra and intermolecular interactions of twisted thia-norhexaphyrin and its multiply annulated polypyrrolic derivatives

Core/Shell NaGdF4:Nd3+/NaGdF4 Nanocrystals with Efficient Near-Infrared to Near-Infrared Downconversion Photoluminescence for Bioimaging Applications ⬇️

Cyclo[18]carbon: Insight into Electronic Structure, Aromaticity, and Surface Coupling

Different Positron Emission Tomography Tau Tracers Bind to Multiple Binding Sites on the Tau Fibril: Insight from Computational Modeling.

Divalent Pseudorotaxane with Polarized Plug-Socket and Padlock Functions

Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies.

Effect of Familial Mutations on the Interconversion of α-Helix to β-Sheet Structures in an Amyloid-Forming Peptide: Insight from Umbrella Sampling Simulations

Efficient Ambient Electrocatalytic Ammonia Synthesis by Nanogold Triggered via Boron Clusters Combined with Carbon Nanotubes

Efficient Solar Cells Based on Porphyrin Dyes with Flexible Chains Attached to the Auxiliary Benzothiadiazole Acceptor: Suppression of Dye Aggregation and the Effect of Distortion.

Expanded N-Confused Phlorin: A Platform for a Multiply Fused Polycyclic Ring System via Oxidation within the Macrocycle

Far-Zone Resonant Energy Transfer in X-ray Photoemission as a Structure Determination Tool.

First-principles calculations of anharmonic and deuteration effects on the photophysical properties of polyacenes and porphyrinoids

Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement

Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2

Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.

Less is more: on the effect of benzannulation on the solid-state emission of difluoroborates

Mechanism for the Extremely Efficient Sensitization of Yb3+Luminescence in CsPbCl3 Nanocrystals

Microlens array enhanced upconversion luminescence at low excitation irradiance

Multidimensional Structure Conformation of Persulfurated Benzene for Highly Efficient Phosphorescence

N-Confused Hexapyrrolic Phlorinoid with NIR Absorption: Synthesis, Fusion, Oxidation, and Copper(II) Coordination

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones

Odd-Number Cyclo[<i>n</i>]Carbons Sustaining Alternating Aromaticity

One-step solvothermal synthesis of high-emissive amphiphilic carbon dots via rigidity derivation.

Plasmonic nano-shells: atomistic discrete interaction versus classic electrodynamics models

Role of surface ligands in optical properties of colloidal CdSe/CdS quantum dots ⬇️

Solvent Dependence of Structure, Charge Distribution, and Absorption Spectrum in the Photochromic Merocyanine−Spiropyran Pair ⬇️

Spin-flip time dependent density functional theory applied to excited states with single, double, or mixed electron excitation character ⬇️

Spontaneous Decomposition of Fluorinated Phosphorene and Its Stable Structure

Structural stability of single-layer PdSe2 with pentagonal puckered morphology and its nanotubes

The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation ⬇️

The carbon and oxygen K-edge NEXAFS spectra of CO

Theory and Calculation of the Phosphorescence Phenomenon

Twisted π-System Chromophores for All-Optical Switching ⬇️

Two-Dimensional Gold Halides: Novel Semiconductors with Giant Spin-Orbit Splitting and Tunable Optoelectronic Properties

Ultraefficient Singlet Oxygen Generation from Manganese-Doped Cesium Lead Chloride Perovskite Quantum Dots