María del Carmen Jiménez Calzado

Catedrática de Universidad (Full Professor)

Universidad de Sevilla

Spain

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María del Carmen Jiménez Calzado is a Catedrática de Universidad (Full Professor) at Universidad de Sevilla, Spain. Her research areas focus on quantum-chemical calculations related to spin-state switching, covalent coupling of metal complexes, and the magnetic properties of molecular systems on surfaces. Recent articles include studies on cobalt porphyrin molecules, spin-crossover complexes, and magnetic heterostructures.

Articles (20)

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2021

Collaborators (2)

Miriam Jaafar Ruiz-Castellanos

Instituto de Ciencia de Materiales de Madrid

SPAIN

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Rocío Sánchez-de-Armas

Profesora Titular de Universidad

Universidad de Sevilla

SPAIN

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María del Carmen Jiménez Calzado

Research Interests

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About

Articles (20)

Thermally-induced covalent coupling of cobalt porphyrin molecules on Au(111)

Dinuclear Fe(II) Spin-Crossover Complex Deposited on the Au(111) Surface: Exploration Based on Quantum-Chemistry Calculations

Mechanisms for the Spin‐State Switching of Strapped Ni‐Porphyrin Complexes Deposited on Metal Surfaces: Insights from Quantum Chemical Calculations

Conductance modulation in graphene/antiferromagnet van der Waals heterostructures induced by magnetic order

Spin-state switching at the single-molecule level by distortion of the coordination sphere: validation based on quantum-chemistry calculations

Guest-dependent spin transitions in Hofmann-like FeII SCO metal–organic frameworks: hints from quantum chemistry calculations

Mechanism of Dinitrogen Photoactivation by P2PPhFe Complexes: Thermodynamic and Kinetic Computational Studies

Dinitrogen Activation Mediated by the (P2PPh)Fe Complex: Electronic Structure, Dimerization Mechanism, and Magnetic Coupling

Magnetic dimeric metal–porphyrin rings mechanically bonded around carbon nanotubes: the role of nanotube defects modulating magnetic properties

Voltage-induced modulation of the magnetic exchange in binuclear Fe(iii) complex deposited on Au(111) surface

Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks

Computational demonstration of isomer- and spin-state-dependent charge transport in molecular junctions composed of charge-neutral iron(ii) spin-crossover complexes

Exploring the potential as molecular quantum-dot cellular automata of a mixed-valence Ru2 complex deposited on a Au(111) surface

How complex–surface interactions modulate the spin transition of Fe(ii) SCO complexes supported on metallic surfaces?

Spin-crossover Fe(ii) complexes on a surface: a mixture of low-spin and high-spin molecules at low temperature from quantum-chemistry calculations

Spin-state-dependent electrical conductivity in single-walled carbon nanotubes encapsulating spin-crossover molecules

Theoretical inspection of the spin-crossover [Fe(tzpy)2(NCS)2] complex on Au(100) surface

A photo-induced spin crossover based molecular switch and spin filter operating at room temperature

Magnetostructural relationships in [Ni(dmit)2]− radical anions

Spin-crossover complexes in nanoscale devices: main ingredients of the molecule–substrate interactions

Collaborators (2)

Miriam Jaafar Ruiz-Castellanos

Rocío Sánchez-de-Armas

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