Publications

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160 entries « 7 of 8 »
121.

Perim, Eric; Galvao, Douglas S

Stability and Dynamics of Boron Nitride Nanoscrolls Proceedings

Cambridge University Press, vol. 1307, 2011.

Abstract | Links | BibTeX

122.

Brunetto, Gustavo; Sato, Fernando; Bouju, Xavier; Galvao, Douglas S

The First Molecular Wheel: A Theoretical Investigation Proceedings

Cambridge University Press, vol. 1286, 2011.

Abstract | Links | BibTeX

123.

Azevedo, David L; Sato, Fernando; Gomes de Sousa Filho, Antonio; Galvao, Douglas S

van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study Journal Article

In: Molecular Simulation, vol. 37, no. 9, pp. 746–751, 2011.

Abstract | Links | BibTeX

124.

Moreira, E; Lemos, V; Galvao, DS; Azevedo, DL

$beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study Journal Article

In: Molecular Simulation, vol. 36, no. 13, pp. 1031–1034, 2010.

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125.

Garcez, Karl M; Moreira, Edvan; Azevedo, David L; Galvao, Douglas S

Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation Journal Article

In: Molecular Simulation, vol. 36, no. 9, pp. 639–643, 2010.

Abstract | Links | BibTeX

126.

Dos Santos, SG; Pires, MS; Lemos, V; Freire, VN; Caetano, EWS; Galvao, DS; Sato, F; Albuquerque, EL

C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping Journal Article

In: Nanotechnology, vol. 20, no. 39, pp. 395701, 2009.

Abstract | Links | BibTeX

127.

Perim, Eric; Galvao, Douglas S

The structure and dynamics of boron nitride nanoscrolls Journal Article

In: Nanotechnology, vol. 20, no. 33, pp. 335702, 2009.

Abstract | Links | BibTeX

128.

Coluci, Vitor; Sato, Fernando; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals Journal Article

In: MRS Proceedings, vol. 1130, pp. 1130–W06, 2008.

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129.

Nakabayashi, D; Moreau, ALD; Coluci, VR; Galvao, DS; Cotta, MA; Ugarte, D

Carbon nanotubes as reinforcement elements of composite nanotools Journal Article

In: Nano letters, vol. 8, no. 3, pp. 842–847, 2008.

Abstract | Links | BibTeX

130.

Coluci, Vitor R; Sato, Fernando; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study Journal Article

In: The Journal of Chemical Physics, vol. 129, no. 6, pp. 064506, 2008.

Abstract | Links | BibTeX

131.

Troche, Karla S; Coluci, Vitor R; Galvao, Douglas S

Atomistic study of the encapsulation of diamondoids inside carbon nanotubes Journal Article

In: arXiv preprint arXiv:0707.1777, 2007.

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132.

Coluci, Vitor R; Pugno, Nicola M; Dantas, Socrates O; Galvao, Douglas S; Jorio, Ado

Atomistic simulations of the mechanical properties of'super'carbon nanotubes Journal Article

In: Nanotechnology, vol. 18, no. 33, pp. 335702, 2007.

Abstract | Links | BibTeX

133.

Azevedo, David L; Sato, Fernando; Galvao, Douglas S; others,

Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation Journal Article

In: arXiv preprint arXiv:0707.3831, 2007.

Abstract | Links | BibTeX

134.

Coluci, VR; Dantas, SO; Jorio, A; Galvao, DS

Electronic and Mechanical Properties of Super Carbon Nanotube Networks Proceedings

Warrendale, Pa.; Materials Research Society; 1999, vol. 963, 2007.

Abstract | Links | BibTeX

135.

Braga, SF; Coluci, VR; Baughman, RH; Galvao, DS

Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study Journal Article

In: Chemical Physics Letters, vol. 441, no. 1, pp. 78–82, 2007.

Abstract | Links | BibTeX

136.

Coluci, VR; Dantas, SO; Jorio, A; Galvao, DS

Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations Journal Article

In: Physical Review B, vol. 75, no. 7, pp. 075417, 2007.

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137.

Pugno, Nicola; Coluci, V; Galvao, DS

Nanotube-or graphene-based nanoarmors Book Chapter

In: Computational & Experimental Analysis of Damaged Materials, pp. 145-154 , 2007.

Abstract | Links | BibTeX

138.

Braga, Scheila Furtado; Galvao, Douglas Soares

Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression Journal Article

In: Journal of Computational Chemistry, vol. 28, no. 10, pp. 1724–1734, 2007.

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139.

Sato, F; Legoas, SB; Otero, R; Hummelink, F; Thostrup, P; Lægsgaard, E; Stensgaard, I; Besenbacher, F; Galvao, DS

Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander Journal Article

In: arXiv preprint arXiv:0708.2915, 2007.

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140.

Coluci, VR; Braga, SF; Baughman, RH; Galvao, DS

Prediction of the hydrogen storage capacity of carbon nanoscrolls Journal Article

In: Physical Review B, vol. 75, no. 12, pp. 125404, 2007.

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