Patrizia Calaminici

According to our database, Patrizia Calaminici authored at least 7 papers between 2002 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Cycloaddition reactions via "<i>on water</i>" protocol reactions: A density functional theory study.

Luis López-Sosa, Patrizia Calaminici

J. Comput. Chem., April, 2024

2023

GAMaterial - A genetic-algorithm software for material design and discovery.

Maicon Pierre Lourenço, Jirí Hostas, Lizandra Barrios Herrera, Patrizia Calaminici, Andreas M. Köster, Alain Tchagang, Dennis R. Salahub

J. Comput. Chem., 2023

Cartesian constraints in QM/MM optimizations.

Luis López-Sosa, Patrizia Calaminici, Andreas M. Köster

J. Comput. Chem., 2023

2007

The challenge of alkali metal clusters from the atomic to the nanoscale. Structure, properties and reactivity.

George Maroulis, Patrizia Calaminici

J. Comput. Methods Sci. Eng., 2007

Molecular graphs of Li_n clusters (n=2-6) from the density and the molecular electrostatic potential.

Patrizia Calaminici, Victor Daniel Dominguez-Soria, Gerald Geudtner, Andreas M. Köster

J. Comput. Methods Sci. Eng., 2007

2006

Parallelization of the deMon2k code.

Gerald Geudtner, Florian Janetzko, Andreas M. Köster, Alberto Vela, Patrizia Calaminici

J. Comput. Chem., 2006

2002

Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivatives.

Patrizia Calaminici, Karl Jug, Andreas M. Köster, Cécile Arbez-Gindre, Constantinos G. Screttas

J. Comput. Chem., 2002