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Publications by Roberto Dovesi
Substitutional Nitrogen Atom in Diamond. A Quantum Mechanical Investigation of the Electronic and Spectroscopic Properties
Carbon
Materials Science
Chemistry
Interstitial Nitrogen Atoms in Diamond. A Quantum Mechanical Investigation of Its Electronic and Vibrational Properties
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Assessing Thermochemical Properties of Materials Through Ab Initio Quantum-Mechanical Methods: The Case of Α-Al2O3
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Approaching the Theoretical Limit in Periodic Local MP2 Calculations With Atomic-Orbital Basis Sets: The Case of LiH
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Ab Initio Analytical Raman Intensities for Periodic Systems Through a Coupled Perturbed Hartree-Fock/Kohn-Sham Method in an Atomic Orbital Basis. I. Theory
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Symmetry and Random Sampling of Symmetry Independent Configurations for the Simulation of Disordered Solids
Journal of Physics Condensed Matter
Materials Science
Condensed Matter Physics
The Raman Spectrum of Grossular Garnet: A Quantum Mechanical Simulation of Wavenumbers and Intensities
Journal of Raman Spectroscopy
Materials Science
Spectroscopy
Thermodynamics and Phonon Dispersion of Pyrope and Grossular Silicate Garnets From Ab Initio Simulations
Physics and Chemistry of Minerals
Petrology
Materials Science
Geochemistry
Ab Initioperiodic Approach to Electronic Structure and Magnetic Exchange inA2CuO2X2(A=Ca,Sr andX=F,Cl)high-Tcsuperconductor Parent Compounds
Physical Review B
