Bartolomeo Civalleri

Materials Chemistry · 2000–2018

A researcher in the Science corpus: 12 papers; trusts 4 researchers and is trusted by 3 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 127 citations into it; #6,900 of 11,513 by trust here, #2,217 by citations
• Inorganic Chemistry — 87 citations into it
• Atomic and Molecular Physics, and Optics — 66 citations into it; #4,605 of 7,135 by trust here, #1,574 by citations
• Physical and Theoretical Chemistry — 23 citations into it
• Computational Chemistry & Drug Discovery — 9 citations into it

Whom Bartolomeo Civalleri trusts overall

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

1. Stefan Grimme
2. Axel D. Becke
3. J. Rowsell
4. Claudio Marcelo Zicovich-Wilson
5. Fabien Pascale
6. Omar M. Yaghi

Who trusts Bartolomeo Civalleri overall

1. Fabien Pascale
2. Claudio Marcelo Zicovich-Wilson
3. Fenggong Wang
4. Roberto Dovesi

Papers from Bartolomeo Civalleri's perspective

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

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

Their papers

• B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals (2008) — 757 citations
• Disclosing the Complex Structure of UiO-66 Metal Organic Framework: A Synergic Combination of Experiment and Theory (2011) — 1,652 citations
• 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
• Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches (2001) — 206 citations
• Quantum‐mechanical condensed matter simulations with CRYSTAL (2018) — 1,506 citations
• Effect of Benzoic Acid as a Modulator in the Structure of UiO-66: An Experimental and Computational Study (2017) — 217 citations
• Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74 (2010) — 339 citations
• Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study (2006) — 167 citations
• CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals (2005) — 850 citations
• Hartree–Fock geometry optimisation of periodic systems with the Crystal code (2001) — 240 citations
• Experimental and Quantum Chemical Studies on the Adsorption of Carbon Dioxide on Alkali-Metal-Exchanged ZSM-5 Zeolites (2000) — 151 citations