Collection
In Memoriam of Claudio Zicovich
In Memoriam of Claudio Zicovich
Articles (22 in this collection)
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Exploring potential energy surfaces with gentlest ascent dynamics in combination with the shrinking dimer method and Newtonian dynamics
Authors (first, second and last of 5)
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Importance of one-parameter hybrid exchange-correlation functionals in band gaps of transition metal and metalloid oxides
Authors (first, second and last of 4)
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Looking for \(sp^2\) carbon atoms in diamond: a quantum mechanical study of interacting vacancies
Authors (first, second and last of 6)
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Long-range exchange limit and dispersion in pure silica zeolites
Authors (first, second and last of 5)
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Tuning the optical and electronic properties of perylene diimides through transversal core extension
Authors (first, second and last of 4)
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Ab initio periodic modelling of the vibrational spectra of molecular crystals: the case of uracil
Authors
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Ab initio calculation of nonlinear optical properties for chiral carbon nanotubes. Second harmonic generation and dc-Pockels effect
Authors (first, second and last of 6)
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Porous silicene and silicon graphenylene-like surfaces: a DFT study
Authors (first, second and last of 4)
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Estimation of empirically fitted parameters for calculating pK a values of thiols in a fast and reliable way
Authors (first, second and last of 6)
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Substrate-mediated single-atom isolation: dispersion of Ni and La on γ-graphyne
Authors (first, second and last of 5)
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