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3-Center-5-electron boryl radicals with σ(0)π(1) ground state electronic structure

artículo científico publicado en 2014

Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores

artículo científico publicado en 2016

Cation-assisted interactions between N-heterocycles and CO2.

artículo científico publicado en 2015

Designing tri-branched multiple-site SO2 capture materials

scientific article published on 01 June 2018

Dissociative adsorption of O2 on strained Pt(111)

artículo científico publicado en 2018

Electrophilicity and Nucleophilicity of Boryl Radicals.

artículo científico publicado en 2017

Enhanced photocatalytic activity of perovskite NaNbO3 by oxygen vacancy engineering

scientific article published on 28 May 2019

Exciton scattering approach for branched conjugated molecules and complexes. I. Formalism

scientific article published on 01 November 2008

Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations

scientific article published on 01 November 2008

Exciton scattering approach for branched conjugated molecules and complexes. III. Applications

scientific article published on 01 November 2008

Exciton scattering on symmetric branching centers in conjugated molecules

artículo científico publicado en 2010

First-principles-guided design of ionic liquids for CO2 capture ⬇️

artículo científico publicado el 14 de octubre de 2012

How low can you go? Minimum energy pathways for O2 dissociation on Pt(111).

artículo científico publicado en 2012

Intramolecular Hydrogen Bonds Enhance Disparity in Reactivity between Isomers of Photoswitchable Sorbents and CO2 : A Computational Study

artículo científico publicado en 2015

Lattice-mismatch-induced twinning for seeded growth of anisotropic nanostructures

artículo científico publicado en 2015

Lithium-Boron (Li-B) Monolayers: First-Principles Cluster Expansion and Possible Two-Dimensional Superconductivity

artículo científico publicado en 2016

Multi-molar CO2 capture beyond the direct Lewis acid-base interaction mechanism

scientific article published on 06 May 2020

NO disproportionation over defective 1T'-MoS2 monolayers

scientific article published on 04 June 2020

Observation of allylic rearrangement in water-rich reaction.

artículo científico publicado en 2014

Pd(II)-catalyzed intermolecular arylation of unactivated C(sp3)-H bonds with aryl bromides enabled by 8-aminoquinoline auxiliary

artículo científico publicado en 2014

Reactivity of Azole Anions with CO2 from the DFT Perspective ⬇️

artículo científico publicado el 2 de mayo de 2013

Separation Properties of Porous MoS2 Membranes Decorated with Small Molecules

scientific article published on 08 April 2020

Separation selectivity and structural flexibility of graphene-like 2-dimensional membranes

scientific article published on 01 July 2018

Site specific carboxylation of abnormal anionic N-heterocyclic dicarbenes with CO2

artículo científico publicado en 2013

Study of a magnetic-cooling material Gd(OH)CO3

Synergistic effects of Lewis bases and substituents on the electronic structure and reactivity of boryl radicals

scientific article published on 16 January 2014

The role of cations in the interactions between anionic N-heterocycles and SO2.

artículo científico publicado en 2018

Towards highly active Pd/CeO2 for alkene hydrogenation by tuning Pd dispersion and surface properties of the catalysts

artículo científico publicado en 2017

Trapping Behaviors of Photogenerated Electrons on the (110), (101), and (221) Facets of SnO2: Experimental and DFT Investigations

artículo científico publicado en 2017

Tuning Surface Properties of Low Dimensional Materials via Strain Engineering.

artículo científico publicado en 2016

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