Walter Orellana - Dissemin

All papers authored by Walter Orellana

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2023 Osvaldo Yañez

, Diego Inostroza

, Luis Leyva-Parra

, José Solar-Encinas, J. César Cruz

, Jorge Garza, Alejandro Vásquez-Espinal

, Ricardo Pino-Rios

, Walter Orellana

, William Tiznado

Si₅-pentagonal rings and Y-shaped Si₄building blocks in Li₃₂Si₁₈system: similarities with the crystalline Zintl phase Li₁₂Si₇

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2022 José Solar-Encinas

, Alejandro Vásquez-Espinal

, Luis Leyva-Parra, Osvaldo Yañez

, Diego Inostroza

, Maria Luisa Valenzuela, Walter Orellana

, William Tiznado

Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au)

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José Solar‐Encinas, Luis Leyva‐Parra, Osvaldo Yáñez

, Diego Inostroza

, Julio R. Barrios‐Llacuachaqui

, Alejandro Vásquez‐Espinal, Walter Orellana

, William Tiznado

Bowl‐shaped Cluster CuB₁₂⁻: A Viable Global Minimum with Twofold Aromaticity

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2019 Osvaldo Yañez

, Victor Garcia

, Jorge Garza, Walter Orellana

, Alejandro Vásquez‐Espinal

, William Tiznado

(Li₆Si₅)_2–5: The Smallest Cluster‐Assembled Materials Based on Aromatic Si₅⁶⁻ Rings

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2017 Raúl Guerrero-Avilés, Walter Orellana

Energetics and diffusion of liquid water and hydrated ions through nanopores in graphene: ab initio molecular dynamics simulation

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2016 Mauricio A. Flores, Eduardo Menéndez-Proupin, Walter Orellana

, Juan L. Peña

Sn-doped CdTe as promising intermediate-band photovoltaic material

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Mauricio A. Flores, Walter Orellana

, Eduardo Menéndez-Proupin

First-principlesDFT+GWstudy of oxygen-doped CdTe

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E. Menéndez-Proupin, W. Orellana

Theoretical study of intrinsic defects in CdTe

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Alejandro Vásquez-Espinal

, Ricardo Pino-Rios

, Patricio Fuentealba, Walter Orellana

, William Tiznado

Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon

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2015 Walter Orellana

Single- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab-initio calculations

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2014 Walter Orellana

, Julián D. Correa

Noncovalent functionalization of carbon nanotubes and graphene with tetraphenylporphyrins: Stability and optical properties from ab-initio calculations

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Walter Orellana

Strong π-π interaction of porphyrins on (6,5) carbon nanotubes with full surface coverage: Ab-initio calculations

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2013 J. D. Correa

, W. Orellana

Light-harvesting efficiency of a (6,5) carbon nanotube functionalized with a free-base tetraphenylporphyrin: Density functional theory calculations

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2012 J. D. Correa

, W. Orellana

Optical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study

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Walter Orellana

Metal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study

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2011 Walter Orellana

, Gonzalo Gutiérrez

First-principles calculations of the thermal stability of Ti3SiC2(0001) surfaces

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Walter Orellana

Catalytic activity toward oxygen reduction of transition metal porphyrins covalently linked to single-walled carbon nanotubes: A density functional study

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2010 Igor Ruiz-Tagle, Walter Orellana

Iron porphyrin attached to single-walled carbon nanotubes: Electronic and dynamical properties fromab initiocalculations

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A. L. Montero Alejo, M. E. Fuentes, Eduardo Menéndez Proupin, W. Orellana

, C. F. Bunge, L. A. Montero

, J. M. García de la Vega

Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes

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A. L. Montero, M. E. Fuentes, E. Menéndez, W. Orellana

, C. Bunge, L. A. Montero

, J. M. G. De La Vega

Electron transition energies of single-walled carbon nanotubes: Hartree - Fock's CNDOL approaches for describing excitations and related properties

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All papers authored by Walter Orellana