Patrizia Calaminici

Orcid: 0000-0001-9842-4271

According to our database1, Patrizia Calaminici authored at least 9 papers between 2002 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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PhD thesis 
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Bibliography

2024
Theoretical study of PdNi and PdCu clusters embedded on graphene modified by monovacancy and nitrogen doping.
J. Comput. Chem., July, 2024

Cycloaddition reactions via "<i>on water</i>" protocol reactions: A density functional theory study.
J. Comput. Chem., April, 2024

Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub><sub>x</sub> (x = 1, 2, 3).
J. Comput. Chem., 2024

2023
GAMaterial - A genetic-algorithm software for material design and discovery.
J. Comput. Chem., 2023

Cartesian constraints in QM/MM optimizations.
J. Comput. Chem., 2023

2007
The challenge of alkali metal clusters from the atomic to the nanoscale. Structure, properties and reactivity.
J. Comput. Methods Sci. Eng., 2007

Molecular graphs of Li<sub>n</sub> clusters (n=2-6) from the density and the molecular electrostatic potential.
J. Comput. Methods Sci. Eng., 2007

2006
Parallelization of the deMon2k code.
J. Comput. Chem., 2006

2002
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.
J. Comput. Chem., 2002


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