Xavier Assfeld
0000-0003-4227-6825
Université de Lorraine
128 papers found
Refreshing results…
A new record excited state 3MLCT lifetime for metalorganic iron(ii) complexes
Interfacial charge separation and photovoltaic efficiency in Fe(ii)–carbene sensitized solar cells
Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy, and Cellular Biology
Orthogonality-constrained Hartree–Fock and perturbation theory for high-spin open-shell excited states
The three-center parameterized continuum wave function and Dyson orbitals for the determination of the triply differential cross section of the simple ionization ofCO2by electron impact
Theoretical study of $(γ ,2e)$ photo-double ionization of CO2in the equal energy sharing regime using Dyson orbitals and the parameterized three center continuum wave function
Sturmian approach to study photoionization of molecules
An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties
Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian
Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level
2,5-Dithienylpyrrole (DTP) as a donor component in DTP–π–A organic sensitizers: photophysical and photovoltaic properties
The Non Empirical Local Self Consistent Field Method: Application to Quantum Mechanics/Molecular Mechanics (QM/MM) Modeling of Large Biomolecular Systems
Preface
Quantum modeling of complex molecular systems
(e,2e) simple ionization of CO2by fast electron impact: use of three-center parameterized continuum wave function and Dyson orbitals
Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory
New Insight into the Topology of Excited States through Detachment/Attachment Density Matrices-Based Centroids of Charge
Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character
Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties
QM/MM calculation of absorption spectra of complex systems: The case of human serum albumin
Missing publications? Search for publications with a matching author name.