Publications

Show all

33 entries « 1 of 2 »
1.

Chandra Sekhar Tiwary Dibyendu Chakravarty, Leonardo Dantas Machado

Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams Journal Article

In: Advanced Materials, 27 (31), pp. 4534–4543, 2015.

Abstract | Links | BibTeX

2.

Yongji Gong Kunttal Keyshar, Gonglan Ye

Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2) Journal Article

In: Advanced Materials, 27 (31), pp. 4640–4648, 2015.

Abstract | Links | BibTeX

3.

Chandra Sekhar Tiwary Mohamad A Kabbani, Pedro AS Autreto

Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes Journal Article

In: Nature Communications, 6 , pp. 7291, 2015.

Abstract | Links | BibTeX

4.

Acrísio L Aguiar Nadia Ferreira Andrade, Yoong Ahm Kim

Linear Carbon Chains Under High Pressure Conditions Journal Article

In: The Journal of Physical Chemistry C, 119 (19), pp. 10669–10676, 2015.

Abstract | Links | BibTeX

5.

Nadia F. Andradea Gustavo Brunettoa, Douglas S. Galvao

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58).

Abstract | Links | BibTeX

6.

Vasconcelos, MS; Azevedo, David L; Hadad, A; Galvao, DS

Electronic properties of Fibonacci and random Si--Ge chains Journal Article

In: Journal of Physics: Condensed Matter, 23 (40), pp. 405501, 2011.

Abstract | Links | BibTeX

7.

Troche, KS; Coluci, VR; Rurali, R; Galvao, DS

Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes Journal Article

In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007.

Abstract | Links | BibTeX

8.

Sato, Fernando; Braga, Scheila F; Santos, Helio F dos; Galvao, Douglas S

Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology Journal Article

In: arXiv preprint arXiv:0708.2931, 2007.

Abstract | Links | BibTeX

9.

Rurali, R; Coluci, VR; Galvao, DS

Prediction of Giant Electro-actuation for Carbon Nanoscrolls Journal Article

In: arXiv preprint cond-mat/0603239, 2006.

Abstract | Links | BibTeX

10.

Rurali, R; Coluci, VR; Galvao, DS

Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations Journal Article

In: Physical Review B, 74 (8), pp. 085414, 2006.

Abstract | Links | BibTeX

11.

Lorite, Gabriela S; Coluci, Vitor R; da Silva, Maria Ivonete N; Deziderio, Shirlei N; Graeff, Carlos Frederico O; Galvao, Douglas S; Cotta, Monica A

Synthetic melanin films: Assembling mechanisms, scaling behavior, and structural properties Journal Article

In: Journal of Applied Physics, 99 (11), pp. 113511, 2006.

Abstract | Links | BibTeX

12.

Giro, Ronaldo; Caldas, Mar'ilia Junqueira; Galvao, Douglas Soares

Band gap engineering for poly (p-phenylene) and poly (p-phenylene vinylene) copolymers using the tight-binding approach Journal Article

In: International Journal of Quantum Chemistry, 103 (5), pp. 588–596, 2005.

Abstract | Links | BibTeX

13.

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

Structural and electronic properties of radialenes and related systems Journal Article

In: Journal of Molecular Structure: THEOCHEM, 729 (3), pp. 203–210, 2005.

Abstract | Links | BibTeX

14.

Braga, Scheila Furtado; Galvao, Douglas Soares

Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds Journal Article

In: Journal of chemical information and computer sciences, 44 (6), pp. 1987–1997, 2004.

Abstract | Links | BibTeX

15.

Vendrame, R; Coluci, Vitor Rafael; Galvao, Douglas Soares

Comparative parametric method 5 (PM5) study of trans-stilbene Journal Article

In: Journal of Molecular Structure: THEOCHEM, 686 (1), pp. 103–108, 2004.

Abstract | Links | BibTeX

16.

Legoas, Sergio B; Rodrigues, Varlei; Ugarte, Daniel; Galvao, Douglas S

Contaminants in suspended gold chains: An ab initio molecular dynamics study Journal Article

In: Physical Review Letters, 93 (21), pp. 216103, 2004.

Abstract | Links | BibTeX

17.

dos Santos, Adenilson O; Avanci, Luis H; Cardoso, Lisandro P; Giro, Ronaldo; Legoas, Sergio B; Galvao, Douglas S; Sherwood, John N

Hysteresis-like behavior in MBANP crystals Journal Article

In: Crystal growth & design, 4 (5), pp. 1079–1081, 2004.

Abstract | Links | BibTeX

18.

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

New families of carbon nanotubes based on graphyne motifs Journal Article

In: Nanotechnology, 15 (4), pp. S142, 2004.

Abstract | Links | BibTeX

19.

De Castro, MPP; Von Zuben, AA; Frateschi, NC; Santo, LLE; Galvao, DS; Bettini, J; De Carvalho, MMG

Strong spatial beryllium doping selectivity on InGaP layers grown on pre-patterned GaAs substrates by chemical beam epitaxy Journal Article

In: Journal of crystal growth, 266 (4), pp. 429–434, 2004.

Abstract | Links | BibTeX

20.

Galvao, Douglas Soares; Rodrigues, Varlei; Ugarte, Daniel; Legoas, Sergio Benites

The role of carbon contamination in metallic nanowires Journal Article

In: Materials Research, 7 (2), pp. 339–342, 2004.

Abstract | Links | BibTeX

33 entries « 1 of 2 »

Show all

2015

33.
Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams

Chandra Sekhar Tiwary Dibyendu Chakravarty, Leonardo Dantas Machado

Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams Journal Article

In: Advanced Materials, 27 (31), pp. 4534–4543, 2015.

Abstract | Links | BibTeX | Tags: Electronic Structure, Mechanical Properties, Mole, Molecular Dynamics, Nanoparticles, Zirconia

32.
Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2)

Yongji Gong Kunttal Keyshar, Gonglan Ye

Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2) Journal Article

In: Advanced Materials, 27 (31), pp. 4640–4648, 2015.

Abstract | Links | BibTeX | Tags: Electronic Structure, Rhenium Disulfide, Synthesis

31.
Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes

Chandra Sekhar Tiwary Mohamad A Kabbani, Pedro AS Autreto

Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes Journal Article

In: Nature Communications, 6 , pp. 7291, 2015.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Chemical Reactions, Electronic Structure, Molecular Dynamics, top20

30.
Linear Carbon Chains Under High Pressure Conditions

Acrísio L Aguiar Nadia Ferreira Andrade, Yoong Ahm Kim

Linear Carbon Chains Under High Pressure Conditions Journal Article

In: The Journal of Physical Chemistry C, 119 (19), pp. 10669–10676, 2015.

Abstract | Links | BibTeX | Tags: Atomic Chains, Carbon Nanotubes, Electronic Structure, Molecular Dynamics, Raman

29.
High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes

Nadia F. Andradea Gustavo Brunettoa, Douglas S. Galvao

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58).

Abstract | Links | BibTeX | Tags: CNT encapsulation, Electronic Structure, Linear Chains, Molecular Dynamics

2011

28.
Electronic properties of Fibonacci and random Si--Ge chains

Vasconcelos, MS; Azevedo, David L; Hadad, A; Galvao, DS

Electronic properties of Fibonacci and random Si--Ge chains Journal Article

In: Journal of Physics: Condensed Matter, 23 (40), pp. 405501, 2011.

Abstract | Links | BibTeX | Tags: Electronic Structure, Fibonacci, Si-Ge chains

2007

27.
Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes

Troche, KS; Coluci, VR; Rurali, R; Galvao, DS

Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes Journal Article

In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, CNT encapsulation, Electronic Structure, Fullerenes, Peapods

26.
Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology

Sato, Fernando; Braga, Scheila F; Santos, Helio F dos; Galvao, Douglas S

Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology Journal Article

In: arXiv preprint arXiv:0708.2931, 2007.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, Neural Networks, PCA/HCA, Tetracyclines, Theory of Electronic Indices

2006

25.
Prediction of Giant Electro-actuation for Carbon Nanoscrolls

Rurali, R; Coluci, VR; Galvao, DS

Prediction of Giant Electro-actuation for Carbon Nanoscrolls Journal Article

In: arXiv preprint cond-mat/0603239, 2006.

Abstract | Links | BibTeX | Tags: DFT, Electroactuation, Electronic Structure, Scrolls

24.
Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations

Rurali, R; Coluci, VR; Galvao, DS

Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations Journal Article

In: Physical Review B, 74 (8), pp. 085414, 2006.

Abstract | Links | BibTeX | Tags: DFT, Electronic Structure, Eletroactuation, Scrolls

23.
Synthetic melanin films: Assembling mechanisms, scaling behavior, and structural properties

Lorite, Gabriela S; Coluci, Vitor R; da Silva, Maria Ivonete N; Deziderio, Shirlei N; Graeff, Carlos Frederico O; Galvao, Douglas S; Cotta, Monica A

Synthetic melanin films: Assembling mechanisms, scaling behavior, and structural properties Journal Article

In: Journal of Applied Physics, 99 (11), pp. 113511, 2006.

Abstract | Links | BibTeX | Tags: Electronic Structure, Melanin, Structure

2005

22.
Band gap engineering for poly (p-phenylene) and poly (p-phenylene vinylene) copolymers using the tight-binding approach

Giro, Ronaldo; Caldas, Mar'ilia Junqueira; Galvao, Douglas Soares

Band gap engineering for poly (p-phenylene) and poly (p-phenylene vinylene) copolymers using the tight-binding approach Journal Article

In: International Journal of Quantum Chemistry, 103 (5), pp. 588–596, 2005.

Abstract | Links | BibTeX | Tags: Conducting Polymers, Electronic Structure, PPP, PPV

21.
Structural and electronic properties of radialenes and related systems

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

Structural and electronic properties of radialenes and related systems Journal Article

In: Journal of Molecular Structure: THEOCHEM, 729 (3), pp. 203–210, 2005.

Abstract | Links | BibTeX | Tags: DFT, Electronic Structure, Radialenes

2004

20.
Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds

Braga, Scheila Furtado; Galvao, Douglas Soares

Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds Journal Article

In: Journal of chemical information and computer sciences, 44 (6), pp. 1987–1997, 2004.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, PCA/HCA, Theory of Electronic Indices

19.
Comparative parametric method 5 (PM5) study of trans-stilbene

Vendrame, R; Coluci, Vitor Rafael; Galvao, Douglas Soares

Comparative parametric method 5 (PM5) study of trans-stilbene Journal Article

In: Journal of Molecular Structure: THEOCHEM, 686 (1), pp. 103–108, 2004.

Abstract | Links | BibTeX | Tags: Electronic Structure, MOPAC, PM3, PM5, Stilbene

18.
Contaminants in suspended gold chains: An ab initio molecular dynamics study

Legoas, Sergio B; Rodrigues, Varlei; Ugarte, Daniel; Galvao, Douglas S

Contaminants in suspended gold chains: An ab initio molecular dynamics study Journal Article

In: Physical Review Letters, 93 (21), pp. 216103, 2004.

Abstract | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, top20

17.
Hysteresis-like behavior in MBANP crystals

dos Santos, Adenilson O; Avanci, Luis H; Cardoso, Lisandro P; Giro, Ronaldo; Legoas, Sergio B; Galvao, Douglas S; Sherwood, John N

Hysteresis-like behavior in MBANP crystals Journal Article

In: Crystal growth & design, 4 (5), pp. 1079–1081, 2004.

Abstract | Links | BibTeX | Tags: Crystallographic Structure, Electronic Structure, Molecular Crystals

16.
New families of carbon nanotubes based on graphyne motifs

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

New families of carbon nanotubes based on graphyne motifs Journal Article

In: Nanotechnology, 15 (4), pp. S142, 2004.

Abstract | Links | BibTeX | Tags: Allotropes, Electronic Structure, Graphynes, Nanotubes

15.
Strong spatial beryllium doping selectivity on InGaP layers grown on pre-patterned GaAs substrates by chemical beam epitaxy

De Castro, MPP; Von Zuben, AA; Frateschi, NC; Santo, LLE; Galvao, DS; Bettini, J; De Carvalho, MMG

Strong spatial beryllium doping selectivity on InGaP layers grown on pre-patterned GaAs substrates by chemical beam epitaxy Journal Article

In: Journal of crystal growth, 266 (4), pp. 429–434, 2004.

Abstract | Links | BibTeX | Tags: Crystal Growth, Doping, Electronic Structure

14.
The role of carbon contamination in metallic nanowires

Galvao, Douglas Soares; Rodrigues, Varlei; Ugarte, Daniel; Legoas, Sergio Benites

The role of carbon contamination in metallic nanowires Journal Article

In: Materials Research, 7 (2), pp. 339–342, 2004.

Abstract | Links | BibTeX | Tags: Contaminantes, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, Structure

13.
Theoretical investigation of electromechanical effects for graphyne carbon nanotubes

Coluci, VR; Galvao, DS; Baughman, RH

Theoretical investigation of electromechanical effects for graphyne carbon nanotubes Journal Article

In: The Journal of chemical physics, 121 (7), pp. 3228–3237, 2004.

Abstract | Links | BibTeX | Tags: Allotropes, Electroactuation, Electronic Structure, Graphynes, Nanotubes

2003

12.
A structure-activity study of taxol, taxotere, and derivatives using the electronic indices methodology (EIM)

Braga, Scheila Furtado; Galvao, Douglas Soares

A structure-activity study of taxol, taxotere, and derivatives using the electronic indices methodology (EIM) Journal Article

In: Journal of chemical information and computer sciences, 43 (2), pp. 699–706, 2003.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, Taxol, Taxotere, Theory of Electronic Indices

11.
Electronic structure investigation of biosensor polymer

Del Nero, J; Galvao, DS; Laks, B

Electronic structure investigation of biosensor polymer Journal Article

In: Optical Materials, 21 (1), pp. 461–466, 2003.

Abstract | Links | BibTeX | Tags: Conducting Polymers, Electronic Structure, Sensors

10.
Families of carbon nanotubes: Graphyne-based nanotubes

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

Families of carbon nanotubes: Graphyne-based nanotubes Journal Article

In: Physical Review B, 68 (3), pp. 035430, 2003.

Abstract | Links | BibTeX | Tags: Allotropes, Electronic Structure, Graphynes, Nanotubes

9.
Graphyne Nanotubes: New Families of Carbon Nanotubes

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

Graphyne Nanotubes: New Families of Carbon Nanotubes Proceeding

Warrendale, Pa.; Materials Research Society; 1999, 739 , 2003.

Abstract | Links | BibTeX | Tags: Allotropes, Electronic Structure, Graphynes, Nanotubes

8.
Semiempirical studies of the electronic structure of polyphenylene sulfide phenyleneamine

Giro, R; Galvao, DS

Semiempirical studies of the electronic structure of polyphenylene sulfide phenyleneamine Journal Article

In: International journal of quantum chemistry, 95 (3), pp. 252–259, 2003.

Abstract | Links | BibTeX | Tags: co-polymers, Conducting Polymers, Electronic Structure, PANi, PPS, PPSA

2002

7.
A semiempirical study on the electronic structure of 10-deacetylbaccatin-III

Braga, SF; Galvao, DS

A semiempirical study on the electronic structure of 10-deacetylbaccatin-III Journal Article

In: Journal of Molecular Graphics and Modelling, 21 (1), pp. 57–70, 2002.

Abstract | Links | BibTeX | Tags: Baccatin, Drug Design, Electronic Structure, Taxol, Taxotere, Theory of Electronic Indices

6.
Designing conducting polymers using genetic algorithms

Giro, R; Cyrillo, M; Galvao, DS

Designing conducting polymers using genetic algorithms Journal Article

In: Chemical Physics Letters, 366 (1), pp. 170–175, 2002.

Abstract | Links | BibTeX | Tags: Conducting Polymers, Electronic Structure, Genetic Algorithms, Material Design

5.
Dual-Mode Optical Molecular Switching Systems for Organic Memories

Galvao, DS; Braga, SF; Barone, PMVB; Dantas, SO

Dual-Mode Optical Molecular Switching Systems for Organic Memories Proceeding

Cambridge Univ Press, 708 , 2002.

Abstract | Links | BibTeX | Tags: Electronic Structure, Molecular Electronics

4.
New families of carbon nanotubes

Coluci, V R; Braga, SF; Legoas, Sergio B; Galvao, Douglas S; Baughman, RH

New families of carbon nanotubes Journal Article

In: arXiv preprint cond-mat/0207085, 2002.

Abstract | Links | BibTeX | Tags: Allotropes, Electronic Structure, Graphynes, Nanotubes

3.
Origin of anomalously long interatomic distances in suspended gold chains

Legoas, Sergio B; Galvao, Douglas S; Rodrigues, Varlei; Ugarte, Daniel

Origin of anomalously long interatomic distances in suspended gold chains Journal Article

In: Physical Review Letters, 88 (7), pp. 076105, 2002.

Abstract | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, TEM, top20

2.
Structure--activity relationship (SAR) studies of the tripos benchmark steroids

Vendrame, R; Coluci, VR; Braga, RS; Galvao, DS

Structure--activity relationship (SAR) studies of the tripos benchmark steroids Journal Article

In: Journal of Molecular Structure: THEOCHEM, 619 (1), pp. 195–205, 2002.

Abstract | Links | BibTeX | Tags: Drug Design, Electronic Structure, HCA/PCA, Neural Networks, Tripos

1.
The Role of Carbon Contamination in Suspended Gold Nanowires

Legoas, Sergio B; Galvao, Douglas S; Rodrigues, Varlei; Ugarte, Daniel

The Role of Carbon Contamination in Suspended Gold Nanowires Journal Article

In: MRS Proceedings, 738 , pp. G14–6, 2002.

Abstract | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, TEM

Curriculum Lattes

http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ

 

Presentations

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ  

Meetings

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ