Fabien Pascale

Materials Chemistry · 2004–2006

A researcher in the Science corpus: 5 papers; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 22 citations into it
• Atomic and Molecular Physics, and Optics — 18 citations into it

Whom Fabien Pascale trusts overall

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

1. Claudio Marcelo Zicovich-Wilson
2. Bartolomeo Civalleri

Who trusts Fabien Pascale overall

1. Roberto Dovesi
2. D. Hall
3. Claudio Marcelo Zicovich-Wilson
4. Roberto Orlando
5. Bartolomeo Civalleri
6. Alessandro Erba

Papers from Fabien Pascale's perspective

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

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

Their papers

• 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
• Ab Initio Study of the Vibrational Spectrum and Related Properties of Crystalline Compounds; the Case of CaCO3 Calcite (2006) — 181 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