Roberto Orlando

Materials Chemistry · 2001–2018

A researcher in the Science corpus: 11 papers; trusts 5 researchers and is trusted by 2 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 76 citations into it; #9,001 of 11,513 by trust here, #3,462 by citations
• Atomic and Molecular Physics, and Optics — 72 citations into it
• Computational Chemistry & Drug Discovery — 12 citations into it

Whom Roberto Orlando trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Stefan Grimme
2. Claudio Marcelo Zicovich-Wilson
3. Fabien Pascale
4. Axel D. Becke

Who trusts Roberto Orlando overall

1. Roberto Dovesi
2. Claudio Marcelo Zicovich-Wilson

Papers from Roberto Orlando's perspective

Ordered by how strongly the researchers Roberto Orlando trusts endorse each paper. Same corpus, a different order for every researcher.

1. Handbook of vibrational spectroscopy
2. A long-range-corrected time-dependent density functional theory. (Journal of Chemical Physics)
3. Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory
4. Taming multiple valency with density functionals: A case study of defective ceria
5. Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches
6. Physical properties of crystals
7. Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set (Journal of Computational Chemistry)
8. Dispersion-Corrected Mean-Field Electronic Structure Methods. (Chemical Reviews)
9. The SIESTA method; developments and applicability (Journal of Physics: Condensed Matter)
10. Nature of the electronic band gap in lanthanide oxides.

Their papers

• CRYSTAL14: A program for the ab initio investigation of crystalline solids (2014) — 1,200 citations
• The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code (2004) — 807 citations
• Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set (2004) — 452 citations
• Quantum‐mechanical condensed matter simulations with CRYSTAL (2018) — 1,506 citations
• Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides (2008) — 278 citations
• Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM‐41 Mesoporous Material Simulated by Large‐scale Periodic B3LYP Calculations (2008) — 202 citations
• First-principles study of the structural, electronic, and optical properties of Ga 2 O 3 in its monoclinic and hexagonal phases (2006) — 522 citations
• CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals (2005) — 850 citations
• The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation (2004) — 172 citations
• Vibrational spectrum of brucite, Mg(OH)2: a periodic ab initio quantum mechanical calculation including OH anharmonicity (2004) — 137 citations
• Hartree–Fock geometry optimisation of periodic systems with the Crystal code (2001) — 240 citations