Publications

386 entries « 8 of 20 »
141.

Bizao, RA; Botari, T; Galvao, DS

Mechanical Properties of Graphene Nanowiggles Proceeding

Cambridge University Press, vol. 1658, 2014.

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142.

Perim, Eric; Galvao, Douglas S

Novel Nanoscroll Structures from Carbon Nitride Layers Journal Article

In: ChemPhysChem, vol. 15, no. 11, pp. 2367–2371, 2014.

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143.

Autreto, PAS; de Sousa, JM; Galvao, DS

Site-dependent hydrogenation on graphdiyne Journal Article

In: Carbon, vol. 77, pp. 829–834, 2014.

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144.

Ozden, Sehmus; Autreto, Pedro AS; Tiwary, Chandra Sekhar; Khatiwada, Suman; Machado, Leonardo; Galvao, Douglas S; Vajtai, Robert; Barrera, Enrique V; M. Ajayan, Pulickel

Unzipping Carbon Nanotubes at High Impact Journal Article

In: Nano letters, vol. 14, no. 7, pp. 4131–4137, 2014.

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145.

Vinod, Soumya; Tiwary, Chandra Sekhar; da Silva Autreto, Pedro Alves; Taha-Tijerina, Jaime; Ozden, Sehmus; Chipara, Alin Cristian; Vajtai, Robert; Galvao, Douglas S; Narayanan, Tharangattu N; Ajayan, Pulickel M

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers Journal Article

In: Nature Communications, vol. 5, 2014.

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146.

Perim, Eric; Paupitz, Ricardo; Autreto, PAS; Galvao, Douglas Soares

Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap Journal Article

In: The Journal of Physical Chemistry C, vol. 118, no. 41, pp. 23670–23674, 2014.

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147.

Paupitz, R; Autreto, Pedro AS; Legoas, SB; Srinivasan, S Goverapet; van Duin, Adri CT; Galvao, DS

Graphene to fluorographene and fluorographane: a theoretical study Journal Article

In: Nanotechnology, vol. 24, no. 3, pp. 035706, 2013.

Abstract | Links | BibTeX

148.

Perim, Eric; Paupitz, Ricardo; Galvao, Douglas S

Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation Journal Article

In: Journal of Applied Physics, vol. 113, no. 5, pp. 054306, 2013.

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149.

SB Legoas LD Machado, JS Soares

Dynamics of the formation of carbon nanotube serpentines Journal Article

In: Physical Review Letters, vol. 110, no. 10, pp. 105502, 2013.

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150.

Perim, Eric; Santos, Ricardo Paupitz; Autreto, Pedro Alves da Silva; Galvao, Douglas S

Fracture Patterns of Boron Nitride Nanotubes Proceeding

Cambridge University Press, vol. 1526, 2013.

Abstract | Links | BibTeX

151.

Autreto, PA; de Sousa, JM; Galvao, DS

On the Dynamics of Graphdiyne Hydrogenation Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX

152.

Perim, Eric; Paupitz, Ricardo; Autreto, PAS; Galvao, DS

The Hydrogenation Dynamics of h-BN Sheets Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX

153.

Miyazaki, Celina M; Riul, Antonio; Dos Santos, David S; Ferreira, Mariselma; Constantino, Carlos JL; Pereira-da-Silva, Marcelo A; Paupitz, Ricardo; Galvao, Douglas S; others,

Bending of Layer-by-Layer Films Driven by an External Magnetic Field Journal Article

In: International journal of molecular sciences, vol. 14, no. 7, pp. 12953–12969, 2013.

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154.

Machado, LD; Autreto, PAS; Galvao, DS

Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX

155.

Perim, E; Autreto, PAS; Paupitz, R; Galvao, DS

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes Journal Article

In: Physical Chemistry Chemical Physics, vol. 15, no. 44, pp. 19147–19150, 2013.

Abstract | Links | BibTeX

156.

Autreto, Pedro Alves da Silva; Galvao, Douglas S; Artacho, Emilio

Species Fractionation in Atomic Chains from Mechanically Stretched Alloys Journal Article

In: arXiv preprint arXiv:1312.1285, 2013.

Abstract | Links | BibTeX

157.

Camilo Jr, A; dos Santos, RPB; Coluci, VR; Galvao, DS

Comparative parametric method 6 (PM6) and Recife model 1 (RM1) study of trans-stilbene Journal Article

In: Molecular Simulation, vol. 38, no. 1, pp. 1–7, 2012.

Abstract | Links | BibTeX

158.

Autreto, PAS; Galvao, Douglas S; Santos, Ricardo PB; Legoas, SB

Graphene to Fluorographene: A Reactive Molecular Dynamics Study Journal Article

In: Physicæ Proceedings, vol. 1, no. 1, pp. 3, 2012.

Abstract | Links | BibTeX

159.

Perim, E; Galvao, DS

Boron Nitride Nanoscrolls Journal Article

In: Physicæ Proceedings, vol. 1, no. 1, pp. 2, 2012.

Abstract | Links | BibTeX

160.

Brunetto, Gustavo; Autreto, PAS; Machado, Leonardo Dantas; Santos, BI; dos Santos, Ricardo PB; Galvao, Douglas S

Nonzero gap two-dimensional carbon allotrope from porous graphene Journal Article

In: The Journal of Physical Chemistry C, vol. 116, no. 23, pp. 12810–12813, 2012.

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386 entries « 8 of 20 »
386 entries « 8 of 8 »

1992

36.

Dantas, SO; Lavarda, FC; Galv ao, DS; Laks, B

An investigation of the electronic structure of the antitumor drug ellipticine and its derivatives: Part I. Geometrical AM1 study Journal Article

In: Journal of Molecular Structure: THEOCHEM, vol. 253, pp. 319–332, 1992.

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35.

Dantas, SO; Galv ao, DS

An investigation of the electronic structure of the antitumour drug ellipticine and its derivatives: Part II. Spectroscopic INDO/CI study Journal Article

In: Journal of Molecular Structure: THEOCHEM, vol. 257, no. 3, pp. 437–449, 1992.

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34.

dos Santos, Maria Cristina; Dantas, S'ocrates O; Galv ao, Douglas S

Theoretical studies on Carter's soliton switch Journal Article

In: Synthetic metals, vol. 51, no. 1, pp. 179–186, 1992.

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33.

Lavarda, FC; Galvao, DS; Laks, B

Extended states in disordered doped polyacetylene chains Journal Article

In: Synthetic metals, vol. 51, no. 1, pp. 169–173, 1992.

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32.

Lavarda, Francisco C; Galv ao, Douglas S; Laks, Bernardo

Electronic structure of polyacetylene with bonded oxygen Journal Article

In: Synthetic metals, vol. 51, no. 1, pp. 175–178, 1992.

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31.

Lavarda, FC; Galvo, DS; Laks, B

Extended states in finite one-dimensional, disordered, highly doped, ItransR-polyacetylene chains Journal Article

In: Physical Review B, vol. 45, no. 6, pp. 3107, 1992.

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30.

Barone, PMVB; Smith, C Morais; Galvo, DS

Numerical study of transport in a dissipative medium Journal Article

In: Physical Review A, vol. 45, no. 6, pp. 3592, 1992.

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29.

Dantas, S'ecrates O; Galvao, Douglas S

Theoretical studies on Carter’s soliton switch Journal Article

In: Polyconjugated Materials, pp. 179, 1992.

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28.

Dantas, SO; Lavarda, FC; Galvao, DS; Laks, B

AN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ANTITUMOR DRUG ELLIPTICINE AND ITS DERIVATIVES. 1. GEOMETRICAL AM1 STUDY Journal Article

In: Theochem-Journal of Molecular Structure, pp. 319–332, 1992.

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1991

27.

Dos Santos, DA; Galvao, DS; Laks, B; Dos Santos, MC

Conformational study on alkyl-substituted thiophene oligomers Journal Article

In: Chemical physics letters, vol. 184, no. 5, pp. 579–583, 1991.

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26.

Lavarda, FC; dos Santos, DA; Galv ao, DS; Laks, B

On the disordered distribution of defects in transpolyacetylene Journal Article

In: Chemical physics, vol. 155, no. 1, pp. 1–5, 1991.

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25.

Galvao, DS; Dos Santos, DA; Laks, B; Dos Santos, MC

Effects of geometrical disorder on the electronic structure of alkyl-substituted polythiophenes Journal Article

In: Synthetic metals, vol. 43, no. 1, pp. 3521–3526, 1991.

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24.

Schulz, PA; Galvo, DS; Caldas, MJ

Conductivity of polymer chains: A tunneling approach Journal Article

In: Physical Review B, vol. 44, no. 12, pp. 6073, 1991.

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23.

Galvao, DS; dos Santos, MC

Disordered bipolaron lattices Journal Article

In: 1991.

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22.

Oliveira Dantas, S de; Galvao, DS

The electronic study of mislinked disordered poly-furan Journal Article

In: 1991.

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21.

Lavarda, FC; Galvao, DS; Laks, B

Disordered distribution of defects and extended states in polyacetylene Journal Article

In: 1991.

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1990

20.

Galvao, DS; Caldas, Mar'ilia Junqueira

Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers Journal Article

In: The Journal of Chemical Physics, vol. 92, no. 4, pp. 2630–2636, 1990.

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19.

Galvao, DS; Caldas, MJ

Theoretical investigation of model polymers for eumelanins. II. Isolated defects Journal Article

In: The Journal of Chemical Physics, vol. 93, no. 4, pp. 2848–2853, 1990.

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18.

dos Santos, DA; Galv ao, DS; Laks, B

Protonic doping effects on the electronic behavior of poly (p-phenylene-co-2, 5-pyrazine) Journal Article

In: Solid State Communications, vol. 74, no. 4, pp. 215–217, 1990.

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17.

dos Santos, DA; Galv ao, DS; Laks, B; Dezotti, MWC; De Paoli, MA

Poly (< i> p-phenylene-co-2, 5-pyrazine): An AM1 investigation Journal Article

In: Chemical physics, vol. 144, no. 1, pp. 103–106, 1990.

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16.

GALVAO, DS; DOSSANTOS, DA; LAKS, B; DEMELO, CP; CALDAS,

ROLE OF DISORDER IN THE CONDUCTION MECHANISM OF POLYANILINES - REPLY Journal Article

In: Physical Review Letters, vol. 65, no. 4, pp. 527, 1990.

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15.

Galvo, DS; Dos Santos, DA; Laks, B; de Melo, CP; Caldas, MJ

Galv~ao et al. reply Journal Article

In: Physical review letters, vol. 65, pp. 527, 1990.

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14.

Shulz, PAB; Galvao, DS; Caldas, MJ

On the conductivity of poly anilines: a tunneling approach Journal Article

In: 1990.

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13.

Galvao, DS; Santos, DA; Laks, B; Rios, JM; Vicentin, FC; Pudensi, MA; Cantao, MP; Cisneros, JI

A preliminary study of optical characterization in PTCDA Journal Article

In: 1990.

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12.

Lavarda, FC; dos Santos, DA; Galvao, DS; Laks, B

Study of electronic properties of the anti-cancer drug elipticin and its derivatives Journal Article

In: 1990.

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11.

dos Santos, DA; Galvao, DS; Laks, B

Protonic doping effects on the electronic behavior of poly-(P-phenylene-CO-2, 5-pyrazine) PPPz Journal Article

In: 1990.

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10.

Smith, CM; Barone, PMV; Galvao, DS

Particle propagation in a dissipative medium: poly anilines Journal Article

In: 1990.

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9.

dos Santos, DA; Galvao, DS; Laks, B; dos Santos, MC

Effects of geometrical disorder on the electronic structure of alkyl-substituted poly thiophenes Journal Article

In: 1990.

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8.

Lavarda, FC; dos Santos, DA; Galvao, DS; Laks, B

Modifications on the electronic structure of polyacetylene induced by molecular oxygen attachment Journal Article

In: 1990.

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7.

Lavarda, FC; dos Santos, DA; Galvao, DS; Laks, B

Disorder effects on conformal defects distribution on polyacetylene Journal Article

In: 1990.

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6.

dos Santos, DA; Galvao, DS; Laks, B; Caldas, MJ

Electronic structure of poly anilines: short range order effects Journal Article

In: 1990.

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1989

5.

Galvao, DS; Dos Santos, DA; Laks, B; de Melo, CP; Caldas, MJ

Role of disorder in the conduction mechanism in polyanilines Journal Article

In: Physical review letters, vol. 63, no. 7, pp. 786, 1989.

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4.

Galv ao, Douglas S; Caldas, Mar'ilia Junqueira

Semicondutores amorfos da natureza: melaninas Journal Article

In: 1989.

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3.

Galvao, Douglas S; Dos Santos, DA; Laks, Bernardo; De Melo, CP; Caldas, Marilia Junqueira

Role of disorder in the conduction mechanism of polyanilines Journal Article

In: Physical review letters, vol. 63, no. 7, pp. 786–789, 1989.

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1988

2.

Galvao, DS; Caldas, MJ

Polymerization of 5, 6-indolequinone: A view into the band structure of melanins Journal Article

In: The Journal of chemical physics, vol. 88, no. 6, pp. 4088–4091, 1988.

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1.

Galv ao, Douglas S; Caldas, Mar'ilia Junqueira

Estrutura eletr^onica de monometros da eumelanina. Journal Article

In: 1988.

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386 entries « 8 of 8 »

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