• 1178 Citations
  • 20 h-Index
20052021
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Fingerprint Dive into the research topics where Michele Pavanello is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 5 Similar Profiles
Density functional theory Chemical Compounds
density functional theory Physics & Astronomy
Discrete Fourier transforms Chemical Compounds
embedding Physics & Astronomy
potential energy Physics & Astronomy
Molecules Chemical Compounds
Charge transfer Chemical Compounds
Electrons Chemical Compounds

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Projects 2014 2021

Oxides
Aluminum Oxide
Electrons
Doping (additives)
Metals
Discrete Fourier transforms
Computational chemistry
Quantum chemistry
Photovoltaic cells
Quantum theory
Discrete Fourier transforms
Computational chemistry
Quantum chemistry
Photovoltaic cells
Quantum theory
Oxides
Aluminum Oxide
Electrons
Catalysis
Metals

Research Output 2005 2019

  • 1178 Citations
  • 20 h-Index
  • 56 Article
  • 2 Review article
  • 1 Chapter

Ab Initio Structure and Dynamics of CO2 at Supercritical Conditions

Mi, W., Ramos, P., Maranhao, J. & Pavanello, M., Jan 1 2019, (Accepted/In press) In : Journal of Physical Chemistry Letters. p. 7554-7559 6 p.

Rutgers, The State University

Research output: Contribution to journalArticle

Environmental technology
Density functional theory
Fluids
density functional theory
fluids
3 Citations (Scopus)
Ionization potential
Discrete Fourier transforms
ionization potentials
embedding
Impurities
1 Citation (Scopus)
Semiconductor quantum dots
Density functional theory
Carrier concentration
inhomogeneity
quantum dots

Tuning the electronic properties of the γ-Al2O3 surface by phosphorus doping

Acikgoz, M., Khoshi, M. R., Harrell, J., Genova, A., Chawla, R., He, H. & Pavanello, M., Jan 1 2019, In : Physical Chemistry Chemical Physics. 21, 27, p. 15080-15088 9 p.

Rutgers, The State University

Research output: Contribution to journalArticle

Electronic properties
Phosphorus
phosphorus
Tuning
tuning
3 Citations (Scopus)

Low-lying excited states by constrained DFT

Ramos, P. & Pavanello, M., Apr 14 2018, In : Journal of Chemical Physics. 148, 14, 144103.

Rutgers, The State University

Research output: Contribution to journalArticle

Excited states
Discrete Fourier transforms
excitation
Density functional theory
intersections