Patrizia Calaminici

Publication Activity (10 Years)

Years Active: 2002-2024
Publications (10 Years): 5

Top Topics

Experimental Study

Global Constraints

Top Venues

J. Comput. Chem.

Publications

Eduardo Adonay Ortiz-Vázquez, Fernando Montejo-Alvaro, Heriberto Cruz-Martínez, Patrizia Calaminici
Theoretical study of PdNi and PdCu clusters embedded on graphene modified by monovacancy and nitrogen doping. J. Comput. Chem. 45 (20) (2024)
Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jirí Hostas, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
(x = 1, 2, 3). J. Comput. Chem. 45 (19, July) (2024)
Luis López-Sosa, Patrizia Calaminici
" protocol reactions: A density functional theory study. J. Comput. Chem. 45 (10) (2024)
Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub
GAMaterial - A genetic-algorithm software for material design and discovery. J. Comput. Chem. 44 (7) (2023)
L. López-Sosa, Patrizia Calaminici, Andreas M. Köster
Cartesian constraints in QM/MM optimizations. J. Comput. Chem. 44 (30) (2023)
Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner, Andreas M. Köster
clusters (n=2-6) from the density and the molecular electrostatic potential. J. Comput. Methods Sci. Eng. 7 (5-6) (2007)
George Maroulis, Patrizia Calaminici
The challenge of alkali metal clusters from the atomic to the nanoscale. Structure, properties and reactivity. J. Comput. Methods Sci. Eng. 7 (5-6) (2007)
Gerald Geudtner, Florian Janetzko, Andreas M. Köster, Alberto Vela, Patrizia Calaminici
Parallelization of the deMon2k code. J. Comput. Chem. 27 (4) (2006)
Patrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives. J. Comput. Chem. 23 (2) (2002)