2023 - Research.com Chemistry in Italy Leader Award
CRYSTAL14: A program for the ab initio investigation of crystalline solids
Roberto Dovesi;Roberto Orlando;Alessandro Erba;Claudio M. Zicovich-Wilson.
International Journal of Quantum Chemistry (2014)
CRYSTAL : a computational tool for the ab initio study of the electronic properties of crystals
Roberto Dovesi;Roberto Orlando;Bartolomeo Civalleri;Carla Roetti.
Zeitschrift Fur Kristallographie (2005)
Hartree Fock Ab Initio Treatment of Crystalline Systems
Cesare Pisani;R Dovesi;Carla Roetti.
(1988)
Quantum-mechanical condensed matter simulations with CRYSTAL
Roberto Dovesi;Alessandro Erba;Roberto Orlando;Claudio M. Zicovich-Wilson.
Wiley Interdisciplinary Reviews: Computational Molecular Science (2018)
The Calculation of the Vibrational Frequencies of Crystalline Compounds and Its Implementation in the CRYSTAL Code
Fabien Pascale;Claudio Marcelo Zicovich-Wilson;F. López Gejo;Bartolomeo Civalleri.
Journal of Computational Chemistry (2004)
Calculation of the vibration frequencies of alpha-quartz: the effect of Hamiltonian and basis set.
C. M. Zicovich-Wilson;F. Pascale;C. Roetti;V. R. Saunders.
Journal of Computational Chemistry (2004)
THEORETICAL STUDY OF ELECTRONIC, MAGNETIC, AND STRUCTURAL PROPERTIES OF ALPHA -FE2O3 (HEMATITE)
M. Catti;G. Valerio;R. Dovesi.
Physical Review B (1995)
Hartree–Fock geometry optimisation of periodic systems with the Crystal code
B. Civalleri;Ph. D'Arco;R. Orlando;V.R. Saunders.
Chemical Physics Letters (2001)
Electronic structure and stability of different crystal phases of magnesium oxide.
M. Causà;R. Dovesi;C. Pisani;C. Roetti.
Physical Review B (1986)
ON THE ELASTIC PROPERTIES OF LITHIUM, SODIUM AND POTASSIUM OXIDE - AN AB INITIO STUDY
R. Dovesi;C. Roetti;C. Freyria-Fava;M. Prencipe.
Chemical Physics (1991)
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