Citation Impact
Citing Papers
Molecular magnetic hysteresis at 60 kelvin in dysprosocenium
2017 StandoutNature
Charge transport properties of spin crossover systems
2013
Spin–phonon couplings in transition metal complexes with slow magnetic relaxation
2018
Molecular spin crossover phenomenon: recent achievements and prospects
2011
Single‐Molecule Spin Switch Based on Voltage‐Triggered Distortion of the Coordination Sphere
2015 StandoutNobel
Polyoxometalates: Building Blocks for Functional Nanoscale Systems
2010 Standout
Magnetic polyoxometalates: from molecular magnetism to molecular spintronics and quantum computing
2012
Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials
2013
Guest Modulation of Spin‐Crossover Transition Temperature in a Porous Iron(II) Metal–Organic Framework: Experimental and Periodic DFT Studies
2014 StandoutNobel
Thermometry at the nanoscale
2012 Standout
Enhanced bistability by guest inclusion in Fe(ii) spin crossover porous coordination polymers
2012 StandoutNobel
Sequestering Aromatic Molecules with a Spin‐Crossover FeII Microporous Coordination Polymer
2012 StandoutNobel
Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations
2015
Surface morphology-induced spin-crossover-inactive high-spin state in a coordination framework
2021 StandoutNobel
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
Room-Temperature Phosphorescence and Low-Energy Induced Direct Triplet Excitation of Alq3 Engineered Crystals
2020 StandoutNobel
The ORCA quantum chemistry program package
2020 Standout
Iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridines—A versatile system for spin-crossover research
2009
Polyoxometalates: Fascinating structures, unique magnetic properties
2009
Einzelmolekül‐Spinschalter auf Basis spannungsinduzierter Verzerrung der Koordinationssphäre
2015 StandoutNobel
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
2008 Standout
Electronic and magnetic structure ofLaMnO 3
2004
Description of magnetic interactions in strongly correlated solids via range-separated hybrid functionals
2009
Software update: the ORCA program system, version 4.0
2017 Standout
Progress in Electronic Structure Calculations on Spin‐Crossover Complexes
2013
Electron Paramagnetic Resonance Study of Guest Molecule-Influenced Magnetism in Kagome Metal–Organic Framework
2016 StandoutNobel
Screened hybrid functional applied to 3d 0 → d 8 M 3 M
2012
Modulation of Spin-Crossover Behavior in an Elongated and Flexible Hofmann-Type Porous Coordination Polymer
2012 StandoutNobel
Molecular Conductors Based on the Mixed-Valence Polyoxometalates [SMo12O40]n− (n = 3 and 4) and the Organic Donors Bis(ethylenedithio)tetrathiafulvalene and Bis(ethylenedithio)tetraselenafulvalene
2009
Structural and chemical trends in doped silicon nanocrystals: First-principles calculations
2005 StandoutNobel
Directing organic–inorganic hybrid molecular-assemblies of polyoxometalate crown-ether complexes with supramolecular cations
2007
Inorganic nanoparticles in porous coordination polymers
2016 StandoutNobel
Mononuclear Lanthanide Single Molecule Magnets Based on the Polyoxometalates [Ln(W5O18)2]9− and [Ln(β2-SiW11O39)2]13−(LnIII = Tb, Dy, Ho, Er, Tm, and Yb)
2009
Adsorbate-Induced Changes in Magnetic Interactions in Fe2(dobdc) with Adsorbed Hydrocarbon Molecules
2016
Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation
2012
Recent Advances in Polyoxometalate-Catalyzed Reactions
2015 Standout
Hybrid Organic−Inorganic Polyoxometalate Compounds: From Structural Diversity to Applications
2010 Standout
Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH)6]2+(M = Fe, Co)
2012
Tripodal MIII Complexes on Au(111) Surfaces: Towards Molecular “Lunar Modules”
2012 StandoutNobel
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets
2014
Modulation of the Interlayer Structures and Magnetic Behavior of 2D Spin‐Crossover Coordination Polymers [FeII(L)2PtII(CN)4]
2013 StandoutNobel
Polyoxometalate-Based Layered Structures for Charge Transport Control in Molecular Devices
2008
Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment
2011
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules
2008
Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate
2011
Fragmentation and Distortion of Terpyridine-Based Spin-Crossover Complexes on Au(111)
2019 StandoutNobel
Lanthanide Single-Molecule Magnets
2013 Standout
The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)–Azido Complex
2015
Magneto-Structural Correlations in a Series of Pseudotetrahedral [CoII(XR)4]2–Single Molecule Magnets: An ab Initio Ligand Field Study
2015
A surface science perspective on TiO2 photocatalysis
2011 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites:LaNiO 3 LaCuO 3
2014 StandoutNobel
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)4]2– Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations
2017
Zero field splitting of the chalcogen diatomics using relativistic correlated wave-function methods
2011
Effect of on-site Coulomb repulsion termU Ti O 2
2008
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Software update: The ORCA program system—Version 5.0
2022 Standout
Structural properties of small copper clusters with a nickel impurity
2005
Spin–orbit coupling and intersystem crossing in molecules
2011
On the Origin of Alternating Bond Distortions and the Emergence of Chirality in Polyoxometalate Anions
2008
Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method
2019
Dopant local bonding and electrical activity near Si(001)-oxide interfaces
2005 StandoutNobel
Stretching-Induced Conductance Increase in a Spin-Crossover Molecule
2016 StandoutNobel
Works of Nicolas Suaud being referenced
Physical analysis of the through-ligand long-distance magnetic coupling: spin-polarization versus Anderson mechanism
2011
Electron Delocalization and Electrostatic Repulsion at the Origin of the Strong Spin Coupling in Mixed‐Valence Keggin Polyoxometalates: Ab Initio Calculations of the One‐ and Two‐Electron Processes
2004
Mixed-Valence Polyoxometalates: Spin-Coupling and Electron Distribution in the Decawolframate Anion Reduced by Two Electrons
2007
Role of the Electron Transfer and Magnetic Exchange Interactions in the Magnetic Properties of Mixed-Valence Polyoxovanadate Complexes
2008
Ab initiostudy of the influence of structural parameters on the potential energy surfaces of spin-crossover Fe(II) model compounds
2012
Determining Key Local Vibrations in the Relaxation of Molecular Spin Qubits and Single-Molecule Magnets
2017
A Strategy to Determine Appropriate Active Orbitals and Accurate Magnetic Couplings in Organic Magnetic Systems
2012
Singly Occupied MOs in Mono- and Diradical Conjugated Hydrocarbons: Comparison between Variational Single-Reference, π-Fully Correlated and Hückel Descriptions
2014
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians
2009
Possible use of DFT approaches for the determination of double exchange interactions
2009
Electronic description using both localized and delocalized orbitals: application to a transition metal system
2003
Light-Induced Excited Spin State Trapping: Ab Initio Study of the Physics at the Molecular Level
2008
Electron Delocalization in Mixed-Valence Keggin Polyoxometalates. Ab Initio Calculation of the Local Effective Transfer Integrals and Its Consequences on the Spin Coupling
2002
Derivation of spin Hamiltonians from the exact Hamiltonian: Application to systems with two unpaired electrons per magnetic site
2002
Ab initio calculations of the transfer parameters and coulombic repulsion and estimation of their effects on the electron delocalization and magnetic coupling in mixed-valence Keggin polyoxotungstates
2003