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List of works by Elena Jakubikova

A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.

scientific article

Approximating Periodic Potential Energy Surfaces with Sparse Trigonometric Interpolation

scientific article published on 01 November 2019

Comparison of Interfacial Electron Transfer Efficiency in [Fe(ctpy)2]2+-TiO2 and [Fe(cCNC)2]2+-TiO2 Assemblies: Importance of Conformational Sampling.

scientific article

Comparison of the Reactivity of 2‐Li‐C6H4CH2NMe2 with MCl4 (M=Th, U): Isolation of a Thorium Aryl Complex or a Uranium Benzyne Complex ⬇️

scientific article published on August 13, 2013

Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation

scientific article published on 05 August 2021

Electrode-adsorption activates trans-[Cr(cyclam)Cl2]+ for electrocatalytic nitrate reduction

scientific article published on 12 December 2019

Excited-State Switching between Ligand-Centered and Charge Transfer Modulated by Metal-Carbon Bonds in Cyclopentadienyl Iridium Complexes

scientific article published on 05 December 2018

HOMO inversion as a strategy for improving the light-absorption properties of Fe(ii) chromophores

scientific article

Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions

scientific article published on 28 June 2019

Large Excited-State Conformational Displacements Expedite Triplet Formation in a Small Conjugated Oligomer

scientific article published on 04 March 2019

Molecular Dynamics Simulations on Relaxed Reduced-Dimensional Potential Energy Surfaces

scientific article published on 15 May 2019

Ray-Dutt and Bailar Twists in Fe(II)-Tris(2,2'-bipyridine): Spin States, Sterics, and Fe-N Bond Strengths.

scientific article published on 23 April 2018

SCC-DFTB Parameters for Fe-C Interactions

scientific article published on 09 November 2020

Tuning the Redox Potentials and Ligand Field Strength of Fe(II) Polypyridines: The Dual π-Donor and π-Acceptor Character of Bipyridine

scientific article published on 08 August 2018

Two-step model for ultrafast interfacial electron transfer: limitations of Fermi's golden rule revealed by quantum dynamics simulations

scientific article published on 27 June 2017

Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)2]2

scientific article published on 26 June 2019

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