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A Structural and Functional Model for the Tris-Histidine Motif in Cysteine Dioxygenase

scientific article published on 24 June 2019

Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV[double bond, length as m-dash]NTs/FeIV[double bond, length as m-dash]O species: the σ vs. the π channels

artículo científico publicado en 2017

Pyrene based D-π-A architectures: synthesis, density functional theory, photophysics and electron transfer dynamics.

artículo científico publicado en 2017

Pyrene-Based Chemosensor for Picric Acid-Fundamentals to Smartphone Device Design

artículo científico publicado en 2019

Role of Anation on the Mechanism of Proton Reduction Involving a Pentapyridine Cobalt Complex: A Theoretical Study

artículo científico publicado en 2018

Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from Density Functional Theory

artículo científico publicado en 2018

The role of π-linkers in tuning the optoelectronic properties of triphenylamine derivatives for solar cell applications - A DFT/TDDFT study.

artículo científico publicado en 2017

Theoretical Investigation of Steric Effect Influence on Reactivity of Substituted Butadienes with Bromocyclobutenone

scientific article published on 09 April 2019

Unusual intramolecular CHO hydrogen bonding interaction between a sterically bulky amide and uranyl oxygen

artículo científico publicado en 2017

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