Publications

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1. 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. In: MRS Proceedings, 1130 , pp. 1130–W06, 2008. (Type: Journal Article | Abstract | Links | BibTeX)
2. 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. In: The Journal of Chemical Physics, 129 (6), pp. 064506, 2008. (Type: Journal Article | Abstract | Links | BibTeX)
3. Konstantinova, Elena ; Camilo Jr, Alexandre ; Barone, Paulo MVB ; Dantas, Socrates O; Galvao, Douglas S: Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations. In: Journal of Molecular Structure: THEOCHEM, 868 (1), pp. 37–41, 2008. (Type: Journal Article | Abstract | Links | BibTeX)

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2008

3.A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals

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

MRS Proceedings, 1130 , pp. 1130–W06, 2008.

Abstract | Links | BibTeX | Tags: Cubanes, Molecular Dynamics, Molecular Machines, Rotor-Stator

2.Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study

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

The Journal of Chemical Physics, 129 (6), pp. 064506, 2008.

Abstract | Links | BibTeX | Tags: C60, C70, Cubanes, Fullerenes, Molecular Dynamics, Rotor-Stator

1.Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations

Konstantinova, Elena ; Camilo Jr, Alexandre ; Barone, Paulo MVB ; Dantas, Socrates O; Galvao, Douglas S

Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations Journal Article

Journal of Molecular Structure: THEOCHEM, 868 (1), pp. 37–41, 2008.

Abstract | Links | BibTeX | Tags: Cubanes, DFT, Polymer

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