Maria L. Contreras Fuentes

  • 727 Citations
  • 8 h-Index
1984 …2016
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Isomers Chemical Compounds
Carbon Nanotubes Chemical Compounds
Stereoisomerism Chemical Compounds
Graph theory Engineering & Materials Science
carbon nanotubes Physics & Astronomy
Atoms Chemical Compounds
Nanotubes Chemical Compounds
Single-walled carbon nanotubes (SWCN) Chemical Compounds

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Research Output 1984 2016

  • 727 Citations
  • 8 h-Index
  • 24 Article
4 Citations (Scopus)

Hydrogen physisorption energies for bumpy, saturated, nitrogen-doped single-walled carbon nanotubes

Contreras, M. L., Villarroel, I. & Rozas, R., 10 May 2016, (Accepted/In press) In : Structural Chemistry. p. 1-12 12 p.

Research output: Contribution to journalArticle

Physisorption
Single-walled carbon nanotubes (SWCN)
Carbon Nanotubes
Nanotubes
Hydrogen
4 Citations (Scopus)
Chirality
Single-walled carbon nanotubes (SWCN)
chirality
Nanotubes
Density functional theory
6 Citations (Scopus)

Evaluating the hydrogen chemisorption and physisorption energies for nitrogen-containing single-walled carbon nanotubes with different chiralities: A density functional theory study

Contreras, M. L., Cortés-Arriagada, D., Villarroel, I., Alvarez, J. & Rozas, R., 2014, In : Structural Chemistry. 25, 4, p. 1045-1056 12 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
Physisorption
Chirality
Single-walled carbon nanotubes (SWCN)
Chemisorption
10 Citations (Scopus)

Computational algorithms for fast-building 3D carbon nanotube models with defects

Leonor Contreras, M., Ávila, D., Alvarez, J. & Rozas, R., Sep 2012, In : Journal of Molecular Graphics and Modelling. 38, p. 389-395 7 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
Carbon nanotubes
carbon nanotubes
Atoms
Nanotubes
27 Citations (Scopus)

Exploring the structural and electronic properties of nitrogen-containing exohydrogenated carbon nanotubes: A quantum chemistry study

Contreras, M. L., Avila, D., Alvarez, J. & Rozas, R., 2010, In : Structural Chemistry. 21, 3, p. 573-581 9 p.

Research output: Contribution to journalArticle

Quantum chemistry
Carbon Nanotubes
quantum chemistry
Electronic properties
Structural properties