María J. Mayor-López

DFT calculations of the binding energy of metallocenes

María J. Mayor-López, Jacques Weber · Chemical Physics Letters · 1997 · 74 citations

Engineering, Physics, Natural Sciences +7

Structure and Reactivity of [Mo₃-μ₃S-(μS₂)₃]⁴⁺Complexes. Quantum Chemical Calculations, X-ray Structural Characterization, and Raman Spectroscopic Measurements

María J. Mayor-López, Jacques Weber, Marc D. Meienberger et al. · Inorganic Chemistry · 1998 · 46 citations

Crystal Structure, Engineering, Significant Shortening +17

Density Functional Study of Protonated, Acetylated, and Mercurated Derivatives of Ferrocene:  Mechanism of the Electrophilic Substitution Reaction

María J. Mayor-López, Jacques Weber, B. Mannfors et al. · Organometallics · 1998 · 41 citations

Inorganic Chemistry, Chemical Engineering, Density Functional Study +12

Understanding the Formation of New Clusters of Alkali and Alkaline Earth Metals:  A New Synthetic Approach, Single-Crystal Structures, and Theoretical Calculations

Katharina M. Fromm, E.D. Gueneau, G. Bernardinelli et al. · Journal of the American Chemical Society · 2003 · 36 citations

Materials Science, Inorganic Chemistry, New Clusters +15

Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene?

María J. Mayor-López, Hans Peter Lüthi, Henrik Koch et al. · The Journal of Chemical Physics · 2000 · 24 citations

Cluster Science, Protonated Derivatives, Engineering +15