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 Journal Article

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

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 Journal Article

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

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 Journal Article

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

Abstract | Links | BibTeX

Show all

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

In: 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

In: 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

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

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

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