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Veaceslav Coropceanu

Research Professor, Chemistry and Biochemistry,

Member of the Graduate Faculty,

Chemistry & Biochemistry - Sci
coropceanu@arizona.edu

520/626-6514

Grant: $1.9M

❝

Veaceslav Coropceanu received his Ph.D. in Theoretical and Mathematical Physics from the State University of Moldova in 1985. In 1994 he was appointed as Associate Professor at the same university. After research stays at the University of Sussex, United Kingdom, on a NATO/Royal Society Fellowship and at the Medical University of Lübeck, Germany, on an Alexander von Humboldt Fellowship, he joined the Brédas research group in 2000. His research interests revolve around theoretical studies of the electronic and optical properties of organic and inorganic systems, including energy- and electron-transfer phenomena, with an emphasis on polaronic effects.

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Veaceslav Coropceanu experts in condensed matter physics, inorganic chemistry, organic electronics, organic photovoltaics, materials science, chemistry, organic chemistry, computational chemistry, photovoltaics, polymer chemistry, physics, molecular simulation, bioinformatics, computational biology, photochemistry, physical chemistry, spectroscopy, condensed matter theory, organic semiconductors, supramolecular chemistry, molecular dynamics, electrochemistry, graphene, 2d materials, photonics, biomedical optics, biophotonics, plasmonics, nmr spectroscopy, machine learning, theoretical nuclear physics, molecular spectroscopy, ciência da informaço, biomaterials, tissue engineering, quantum chemistry, molecular crystals, molecular beam epitaxy, molecular dynamics simulation, nonlinear optics, bioinorganic chemistry, nanophotonics, perovskite solar cells, nanotechnology, atomic physics, quantum optics, organic solar cells

Recent Grants

	2022	$1.8M	Active
Center for Soft PhotoElectroChemical Systems (SPECS)
	2020	$140.8K
Collaborative Research: Excited-State Dynamics in Organic Charge-Transfer Compounds: An Experimental and Theoretical Study

Publications (221)

Recent

2023	Relationship between Energetic Disorder and Reduced Recombination of Free Carriers in Organic Solar Cells
2022	Resolving atomic-scale interactions in non-fullerene acceptor organic solar cells by high-field NMR crystallography
2022	Resolving atomic‐scale interactions in nonfullerene acceptor organic solar cells with solid‐state NMR spectroscopy, crystallographic modelling, and molecular dynamics simulations
2022	Access to sensitive near infrared circularly polarized light detection via non-fullerene acceptor blends
2022	Towards Efficient and Stable Donor‐Acceptor Luminescent Radicals
2022	Asymmetric electron acceptor enables highly luminescent organic solar cells with certified efficiency over 18%
2022	Limiting factors for charge generation in low-offset fullerene-based organic solar cells
2022	Ion-modulated radical doping of spiro-OMeTAD for more efficient and stable perovskite solar cells
2022	Enhancement of thermally activated delayed fluorescence (TADF) in multi-resonant emitters via control of chalcogen atom embedding
2022	Electronic structure of confined carbyne from joint wavelength-dependent resonant Raman spectroscopy and density functional theory investigations
2022	Energy transfer processes in hyperfluorescent organic light-emitting diodes
2022	Lower limits for non-radiative recombination loss in organic donor/acceptor complexes
2022	Purely Organic Emitters for Multiresonant Thermally Activated Delay Fluorescence: Design of Highly Efficient Sulfur and Selenium Derivatives
2022	Resolving Atomic-Scale Interactions in Nonfullerene Acceptor Organic Solar Cells with Solid-State NMR Spectroscopy, Crystallographic Modelling, and Molecular Dynamics Simulations
2022	Ring-to-Chain Structural Relaxation of Elemental Sulfur upon Photoexcitation
2021	Strong Suppression of Thermal Conductivity in the Presence of Long Terminal Alkyl Chains in Low-Disorder Molecular Semiconductors
2021	Impact of chemical modifications on the luminescence properties of organic neutral radical emitters
2021	A unified description of non-radiative voltage losses in organic solar cells
2021	The Role of Intermolecular Interactions on the Performance of Organic Thermally Activated Delayed Fluorescence (TADF) Materials
2020	Bulk Heterojunction Solar Cells: Insight into Ternary Blends from a Characterization of the Intermolecular Packing and Electronic Properties in the Corresponding Binary Blends
2020	Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters
2020	Radiative and Nonradiative Recombinations in Organic Radical Emitters: The Effect of Guest–Host Interactions
2020	Electronic structure of multicomponent organic molecular materials: evaluation of range-separated hybrid functionals
2020	Suppression of Concentration Quenching in Ortho-Substituted Thermally Activated Delayed Fluorescence Emitters
2020	On the Physical Origins of Charge Separation at Donor–Acceptor Interfaces in Organic Solar Cells: Energy Bending versus Energy Disorder
2020	Suppression of concentration quenching in ortho‐substituted thermally activated delayed fluorescence emitters
2020	Thermally Activated Delayed Fluorescence Sensitization for Highly Efficient Blue Fluorescent Emitters
2020	Organic neutral radical emitters: Impact of chemical substitution and electronic-state hybridization on the luminescence properties
2020	Electronic, vibrational, and charge-transport properties of benzothienobenzothiophene–TCNQ co-crystals
2020	Organic solar cells: on the physical origins of charge separation at donor–acceptor interfaces in organic solar cells: energy bending versus energy disorder (Adv. Theory Simul …
2020	Hyperfluorescence-Based Emission in Purely Organic Materials: Suppression of Energy-Loss Mechanisms via Alignment of Triplet Excited States
2020	Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells
2019	Organic charge-transfer compounds: complex interactions at the nanoscale
2019	Quaternary charge-transfer solid solutions: electronic tunability through stoichiometry
2019	Design and synthesis of two-dimensional covalent organic frameworks with four-arm cores: prediction of remarkable ambipolar charge-transport properties
2019	Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals
2019	Charge-transfer electronic states in organic solar cells
2019	All-polymer solar cells: impact of the length of the branched alkyl side chains on the polymer acceptors on the interchain packing and electronic properties in amorphous blends
2019	High stability and luminescence efficiency in donor–acceptor neutral radicals not following the Aufbau principle
2019	Charge‐Transfer States at Organic–Organic Interfaces: Impact of Static and Dynamic Disorders
2019	Electron-phonon coupling in binary organic semiconducting crystals (Conference Presentation)
2018	1.1 Theoretical Aspects
2018	On the molecular origin of charge separation at the donor–acceptor interface
2018	Discovery of non-linear optical materials by function-based screening of multi-component solids
2018	Characterization of the structural, mechanical, and electronic properties of fullerene mixtures: a molecular simulations description
2018	Langmuir–Blodgett thin films of diketopyrrolopyrrole-based amphiphiles
2018	Solid-State Polarization, Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional
2018	Donor conjugated polymers with polar side chain groups: The role of dielectric constant and energetic disorder on photovoltaic performance
2018	Electro-active pi-Conjugated Oligomers and Polymers A Molecular Picture of Charge-Transfer Processes
2018	Impact of phonon dispersion on nonlocal electron–phonon couplings in organic semiconductors: the naphthalene crystal as a case study
2018	Design rules for minimizing voltage losses in high-efficiency organic solar cells
2018	Organic Thin Films with Charge Carrier Mobility Exceeding that of Single Crystals
2018	Data underpinning-" On the Molecular Origin of Charge Separation at the Donor-Acceptor Interface"
2018	Every atom counts: Elucidating the fundamental impact of structural change in conjugated polymers for organic photovoltaics
2018	Assessing the nature of the charge-transfer electronic states in organic solar cells
2017	Energetic fluctuations in amorphous semiconducting polymers: Impact on charge-carrier mobility
2017	Up-conversion intersystem crossing rates in organic emitters for thermally activated delayed fluorescence: impact of the nature of singlet vs triplet excited states
2017	Electron-phonon coupling in anthracene-pyromellitic dianhydride
2017	Impact of active layer morphology on bimolecular recombination dynamics in organic solar cells
2017	MS115. P24
2017	Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems
2017	Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency
2017	Electronic Properties of 1, 5-Diaminonaphthalene: Tetrahalo-1, 4-benzoquinone Donor–Acceptor Cocrystals
2017	Charge-transfer states in organic solar cells: Understanding the impact of polarization, delocalization, and disorder
2017	Reply to Comment on Polymorphism in the 1: 1 Charge-Transfer Complex DBTTF-TCNQ and Its Effects on Optical and Electronic Properties
2017	Effect of solid-state polarization on charge-transfer excitations and transport levels at organic interfaces from a screened range-separated hybrid functional
2017	Organic thin films with charge-carrier mobility exceeding that of single crystals
2016	Role of band states and trap states in the charge transport properties of organic semiconductors (Conference Presentation)
2016	Polymorphism in the 1: 1 charge‐transfer complex DBTTF–TCNQ and its effects on optical and electronic properties
2016	CCDC 1440981: Experimental Crystal Structure Determination: 2, 6-dihexyl-4, 8-bis (1, 3-thiazol-2-yl)[1, 3] thiazolo [5, 4-f][1, 3] benzothiazole
2016	CCDC 1440984: Experimental Crystal Structure Determination: 4, 8-bis (1, 3-benzoxazol-2-yl)-2, 6-dihexyl [1, 3] thiazolo [5, 4-f][1, 3] benzothiazole
2016	Why every atom counts: Fundamental impact of a minimal structural change in conjugated polymers for organic photovoltaics
2016	Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model
2016	Charge Transport in Crystalline Organic Semiconductors
2016	To bend or not to bend–are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
2016	Packing and Disorder in Substituted Fullerenes
2016	Benchmarking density functional theory approaches for the description of symmetry breaking in long polymethine dyes
2016	Charge-recombination processes in organic solar cells: the impact of charge-transfer states (Conference Presentation)
2016	Characterizing the polymer: Fullerene intermolecular interactions
2015	CCDC 1019650: Experimental Crystal Structure Determination:(dibenzo [c, pqr] tetraphene-7, 14-diyldiethyne-2, 1-diyl) bis (trimethylsilane)
2015	Temperature-mediated polymorphism in molecular crystals: the impact on crystal packing and charge transport
2015	Mode-selective vibrational control of charge transport in -conjugated molecular materials
2015	Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes
2015	Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study
2015	Mode-selective vibrational modulation of charge transport in organic electronic devices
2014	Toward a Robust Quantum-Chemical Description of Organic Mixed-Valence Systems
2014	Optical conductivity and optical effective mass in a high-mobility organic semiconductor: Implications for the nature of charge transport
2014	Charge transport properties of Perylene–TCNQ crystals: The Effect of stoichiometry
2014	Low trap density of states in solution-deposited organic semiconductors by Vibration Assisted Crystallization
2014	Correlating non-geminate recombination with film structure: a comparison of polythiophene: fullerene bilayer and blend films
2014	Impact of Electron Delocalization on the Nature of the Charge-Transfer States in Model Pentacene/C60 Interfaces: A Density Functional Theory Study
2014	Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals
2014	Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals
2014	Vibronic coupling in the ground state of oligoacene cations: the performance of range-separated hybrid density functionals
2014	Bistetracene: an air-stable, high-mobility organic semiconductor with extended conjugation
2014	Electronic properties of mixed-stack organic charge-transfer crystals
2014	Defect‐Driven Interfacial Electronic Structures at an Organic/Metal‐Oxide Semiconductor Heterojunction
2014	Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review
2014	Freezing-in orientational disorder induces crossover from thermally-activated to temperature-independent transport in organic semiconductors
2014	Temperature activated transport tuned by libration in the charge-transfer salt trans-stilbene - 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (STB-F4TCNQ)
2014	Temperature-mediated polymorphism: impact on packing motifs and charge transport
2013	Intrinsic charge transport in single crystals of organic molecular semiconductors: A theoretical perspective
2013	Back Cover: Triisopropylsilylethynyl‐Functionalized Graphene‐Like Fragment Semiconductors: Synthesis, Crystal Packing, and Density Functional Theory Calculations (Chem. Eur. J …
2013	Triisopropylsilylethynyl‐Functionalized Graphene‐Like Fragment Semiconductors: Synthesis, Crystal Packing, and Density Functional Theory Calculations
2013	Organic Thin‐Film Transistors: Vibration‐Assisted Crystallization Improves Organic/Dielectric Interface in Organic Thin‐Film Transistors (Adv. Mater. 48/2013)
2013	Electronic and Charge-Transport Properties of the Au3(CH3NCOCH3)3 Crystal: A Density Functional Theory Study
2013	Nonlocal electron-phonon coupling in organic semiconductor crystals: The role of acoustic lattice vibrations
2013	Intramolecular reorganization energy in zinc phthalocyanine and its fluorinated derivatives: a joint experimental and theoretical study
2013	Correction to “Thermal Narrowing of the Electronic Bandwidths in Organic Molecular Semiconductors: Impact of the Crystal Thermal Expansion”
2013	Dipolar ferrocene and ruthenocene second-order nonlinear optical chromophores: a time-dependent density functional theory investigation of their absorption spectra
2013	Electronic-structure theory of organic semiconductors: charge-transport parameters and metal/organic interfaces
2013	Experimental reorganization energies of pentacene and perfluoropentacene: effects of perfluorination
2013	Role of band states and trap states in the electrical properties of organic semiconductors: Hopping versus mobility edge model
2013	Understanding the density functional dependence of DFT-calculated electronic couplings in organic semiconductors
2013	Vibration‐Assisted Crystallization Improves Organic/Dielectric Interface in Organic Thin‐Film Transistors
2012	Thermal narrowing of the electronic bandwidths in organic molecular semiconductors: impact of the crystal thermal expansion
2012	Key electronic processes in organic solar cells: a theoretical perspective
2012	Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation
2012	Prediction of remarkable ambipolar charge-transport characteristics in organic mixed-stack charge-transfer crystals
2012	Closely stacked oligo (phenylene ethynylene) s: Effect of π-stacking on the electronic properties of conjugated chromophores
2012	π‐Stacked Oligo (phenylene vinylene) s Based on Pseudo‐Geminal Substituted [2.2] Paracyclophanes: Impact of Interchain Geometry and Interactions on the Electronic Properties
2012	The impact of molecular orientation on the photovoltaic properties of a phthalocyanine/fullerene heterojunction
2012	Factors governing intercalation of fullerenes and other small molecules between the side chains of semiconducting polymers used in solar cells
2012	Ultralow doping in organic semiconductors: evidence of trap filling
2012	Symmetry effects on nonlocal electron-phonon coupling in organic semiconductors
2012	Tuning delocalization in the radical cations of 1, 4-bis [4-(diarylamino) styryl] benzenes, 2, 5-bis [4-(diarylamino) styryl] thiophenes, and 2, 5-bis [4-(diarylamino) styryl …
2011	The interaction of charge carriers with lattice phonons in oligoacene crystals
2011	Theoretical investigation of triscarbazole derivatives as host materials for blue electrophosphorescence: effects of topology
2011	A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic …
2011	Design of efficient ambipolar host materials for organic blue electrophosphorescence: theoretical characterization of hosts based on carbazole derivatives
2011	Polymers with carbazole-oxadiazole side chains as ambipolar hosts for phosphorescent light-emitting diodes
2011	Charge Transport in Functionalized Fluorinated Pentacenes
2011	Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors
2011	Hexaazatriphenylene (HAT) versus tri‐HAT: The bigger the better?
2011	Dithienopyrrole as a building block for small molecules and conjugated polymers: Comparison of electronic and optical properties to those of analogs based on bithiophene and …
2010	Charge-Transport Properties of the Tetraphenylbis(indolo[1,2-a])quinoline and 5,7-Diphenylindolo[1,2-a]quinoline Crystals
2010	Electronic and Optical Properties of 4H-Cyclopenta[2,1-b:3,4-b′]bithiophene Derivatives and Their 4-Heteroatom-Substituted Analogues: A Joint Theoretical and …
2010	Phosphine oxide derivatives as hosts for blue phosphors: A joint theoretical and experimental study of their electronic structure
2010	Influence of structural dynamics on polarization energies in anthracene single crystals
2010	Electronic Properties of the 2,6-Diiododithieno[3,2-b:2′,3′-d]thiophene Molecule and Crystal: A Joint Experimental and Theoretical Study
2010	Interaction of charge carriers with lattice vibrations in oligoacene crystals from naphthalene to pentacene
2009	Electronic structure and charge-transport parameters of functionalized tetracene crystals: impact of partial fluorination and alkyl or alkoxy derivatization
2009	Impact of perfluorination on the charge-transport parameters of oligoacene crystals
2009	Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry
2009	Electronic structure of self-assembled (fluoro) methylthiol monolayers on the Au (1 1 1) surface: Impact of fluorination and coverage density
2009	Intramolecular electron transfer in two-and three-center mixed-valence triarylamines
2009	Molecular understanding of organic solar cells: the challenges
2009	Photophysical properties of an alkyne-bridged bis (zinc porphyrin)− perylene bis (dicarboximide) derivative
2009	Intramolecular electron-transfer rates in mixed-valence triarylamines: measurement by variable-temperature ESR spectroscopy and comparison with optical data
2009	Dipolar second-order nonlinear optical chromophores containing ferrocene, octamethylferrocene, and ruthenocene donors and strong π-acceptors: crystal structures and comparison …
2009	Electronic structure of the pentacene–gold interface: A density-functional theory study
2009	Interaction of charge carriers with lattice vibrations in organic molecular semiconductors: naphthalene as a case study
2008	Electron-phonon coupling in naphthalene crystal
2008	Charge-transport properties of the 1, 4-diiodobenzene crystal: A quantum-mechanical study
2008	Electronic and vibronic interactions at weakly bound organic interfaces: The case of pentacene on graphite
2008	Trends in electron-vibration and electronic interactions in bis (dimethylamino) mixed-valence systems: a joint experimental and theoretical investigation
2008	Stabilisation of a heptamethine cyanine dye by rotaxane encapsulation
2008	Quantum-chemical approach to electronic coupling: Application to charge separation and charge recombination pathways in a model molecular donor− acceptor system for organic …
2007	Hole-vibronic coupling in oligothiophenes: impact of backbone torsional flexibility on relaxation energies
2007	Charge transport parameters of the pentathienoacene crystal
2007	ORGN 215-Spectroscopic characterization of bis (di (alkoxyphenyl) amine) s with thiophene-based bridges and their radical cations
2007	Electron-phonon coupling in organic semiconductors: A DFT-based approach
2007	Charge transport in organic semiconductors
2007	DAS Filho, Y. Olivier, R. Silbey, and J.-L. Brédas
2007	da Silva Filho, Yoann Olivier, Robert Silbey, Jean-Luc Brédas
2007	Bis [bis‐(4‐alkoxyphenyl) amino] Derivatives of Dithienylethene, Bithiophene, Dithienothiophene and Dithienopyrrole: Palladium‐Catalysed Synthesis and Highly Delocalised …
2007	Intersystem crossing processes in nonplanar aromatic heterocyclic molecules
2007	Charge transport in organic semiconductors (vol 107, pg 926, 2007)
2007	On the Transport, Optical, and Self-Assembly Properties of pi-Conjugated Materials: A Combined Theoretical/Experimental Insight
2007	Theoretical aspects of charge transport in organic semiconductors: a molecular perspective
2007	Charge-Transport Parameters in Molecular Organic Semiconductors.
2006	Bis (triarylamine) mono-and dications with arylene-vinylene bridges: Structures, electron transfer, and nonlinear optical properties
2006	Probing delocalization in metal-acetylide systems: Pt-bridged metal-organic mixed-valence species
2006	Structures and optical properties of bis (triarylamine) mono-and dications with arylene-vinylene bridges
2006	Vibronic coupling in organic semiconductors: the case of fused polycyclic benzene–thiophene structures
2006	Effect of electronic polarization on charge-transport parameters in molecular organic semiconductors
2006	Fused oligothiophenes as charge transport material
2006	Charge-transport properties of conjugated oligomers and polymers: Evolution of electronic coupling
2006	Excited-state properties and emission spectra of nonplanar heterocyclic helicenes
2006	The impact of symmetric modes on intramolecular electron transfer: A semi-classical approach
2006	Probing charge transport in π-stacked fluorene-based systems
2006	A new class of mixed-valence systems with orbitally degenerate organic redox centers. Examples based on hexa-rhenium molecular prisms
2006	Vibronic coupling in the ground and excited states of oligoacene cations
2006	Isolation and crystal structures of two singlet bis (triarylamine) dications with nonquinoidal geometries
2006	Vibronic coupling in the ground and excited states of the oligoacene cations: A systematic density functional study
2006	A polarized response
2005	A mixed-valence bis (diarylamino) stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues
2005	Vibronic interactions in benzene-thiophene organic semiconductors
2005	Borderline class II/III ligand-centered mixed valency in a porphyrinic molecular rectangle
2005	Homo‐/Heterotrinuclear Mixed‐Valent Oxo‐Centered Iron/Nickel Clusters—Mössbauer Studies on Internal Electron‐Exchange Processes
2005	Intervalence Transitions in the Mixed-Valence Monocations of Bis (triarylamines) Linked with Vinylene and Phenylene− Vinylene Bridges
2005	Electronic coupling in tetraanisylarylenediamine mixed-valence systems: the interplay between bridge energy and geometric factors
2004	Charge transport properties in discotic liquid crystals: a quantum-chemical insight into structure− property relationships
2004	Vibronic coupling in the ground and excited states of the naphthalene cation
2004	Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers: a molecular picture
2004	Characterization of the molecular parameters determining charge transport in anthradithiophene
2004	A multimode analysis of the gas-phase photoelectron spectra in oligoacenes
2004	Electronic couplings in organic mixed-valence compounds: the contribution of photoelectron spectroscopy
2004	Delocalization in Platinum− Alkynyl Systems: A Metal-Bridged Organic Mixed-Valence Compound
2003	An anionic organic mixed-valence system with a remarkably well-resolved vibrational structure in its intervalence band
2003	Two-photon absorption and mixed-valence properties of dioxaborine derivatives
2003	The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers
2003	Charge-transfer transitions in triarylamine mixed-valence systems: the effect of temperature
2002	Hole-and electron-vibrational couplings in oligoacene crystals: intramolecular contributions
2002	The vibrational reorganization energy in pentacene: molecular influences on charge transport
2002	Charge-transfer transitions in triarylamine mixed-valence systems: a joint density functional theory and vibronic coupling study
2002	Filho, DAS; Gruhn, NE; Bill, TG; Brédas, JL
2002	Symmetry anomaly in disubstituted benzenes
2002	Manifestation of the double-exchange interaction in the Mössbauer spectrum of mixed-valence systems
2002	Characterization of the energy and charge transfer processes in Pi-conjugated semiconducting oligomers and polymers.
2001	Intervalence transition in triarylamine mixed-valence systems: A time-dependent density functional theory study
2001	Electron transfer in a trinuclear oxo-centred mixed-valence iron complex, in solid and solution states
2001	Electron transfer in a trinuclear oxocentred mixedvalence iron complex, in solid and solution statesDedicated to Professor Dieter Sellmann on the occasion of his 60th birthday.
2000	A neutral triple-helical trinuclear oxo-centered mixed-valent iron complex: Mössbauer spectroscopic and magnetic susceptibility studies
2000	The instability of states with full electron (hole) delocalisation in mixed-valence Fe4S4 clusters. The role of symmetry distortions
1998	Group theoretical identification of active localized orbital space in high Tc cuprate superconductors
1998	Group theoretical classification of electronic states in mixed-valence complexes
1997	Double exchange in tetrameric tetrahedral clusters with two-electron transfer: magnetic properties
1995	Double exchange in mixed valence polynuclear clusters
1995	Group theoretical classification of resonance states of mixed valence polynuclear clusters
1993	Hole-type mixed-valence tetrahedral cluster: Exchange-tunnel states and magnetic properties

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