María J. Mayor-López

DFT calculations of the binding energy of metallocenes

María J. Mayor-López, Jacques Weber · Chemical Physics Letters · 1997 · 75 citations · Full text

Natural Sciences, Chemistry, Materials Science +12

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

Natural Sciences, Chemistry, Materials Science +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 · Full text

Natural Sciences, Chemistry, Computational Chemistry +7

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

Natural Sciences, Chemistry, Materials Science +17

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

Natural Sciences, Chemistry, Computational Chemistry +13