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33 entries « 1 of 2 »
1. Dibyendu Chakravarty Chandra Sekhar Tiwary, Leonardo Dantas Machado Gustavo Brunetto Soumya Vinod Ram Manohar Yadav Douglas Galvao Shrikant Joshi Govindan Sundararajan Pulickel Ajayan S V M: Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams. In: Advanced Materials, 27 (31), pp. 4534–4543, 2015. (Type: Journal Article | Abstract | Links | BibTeX)
2. Kunttal Keyshar Yongji Gong, Gonglan Ye Gustavo Brunetto Wu Zhou Daniel Cole Ken Hackenberg Yongmin He Leonardo Machado Mohamad Kabbani Amelia Hart Bo Li Douglas Galvao Antony George Robert Vajtai Chandra Sekhar Tiwary Pulickel Ajayan P H C S M: Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2). In: Advanced Materials, 27 (31), pp. 4640–4648, 2015. (Type: Journal Article | Abstract | Links | BibTeX)
3. Mohamad A Kabbani Chandra Sekhar Tiwary, Pedro AS Autreto Gustavo Brunetto Anirban Som KR Krishnadas Sehmus Ozden Ken Hackenberg Yongi Gong Douglas Galvao Robert Vajtai Ahmad Kabbani Thalappil Pradeep Pulickel Ajayan P S T M: Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes. In: Nature Communications, 6 , pp. 7291, 2015. (Type: Journal Article | Abstract | Links | BibTeX)
4. Nadia Ferreira Andrade Acrísio L Aguiar, Yoong Ahm Kim Morinobu Endo Paulo TC Freire Gustavo Bruneto Douglas Soares Galvao Mildred Dresselhaus Antonio Gomes Souza Filho S: Linear Carbon Chains Under High Pressure Conditions. In: The Journal of Physical Chemistry C, 119 (19), pp. 10669–10676, 2015. (Type: Journal Article | Abstract | Links | BibTeX)
5. Gustavo Brunettoa Nadia F. Andradea, Douglas Galvao Antonio Souza Filho S G: High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes. 1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58). (Type: Proceeding | Abstract | Links | BibTeX)
6. Vasconcelos, MS ; Azevedo, David L; Hadad, A; Galvao, DS : Electronic properties of Fibonacci and random Si--Ge chains. In: Journal of Physics: Condensed Matter, 23 (40), pp. 405501, 2011. (Type: Journal Article | Abstract | Links | BibTeX)
7. Troche, KS ; Coluci, VR ; Rurali, R; Galvao, DS : Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes. In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
8. Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S: Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology. In: arXiv preprint arXiv:0708.2931, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
9. Rurali, R; Coluci, VR ; Galvao, DS : Prediction of Giant Electro-actuation for Carbon Nanoscrolls. In: arXiv preprint cond-mat/0603239, 2006. (Type: Journal Article | Abstract | Links | BibTeX)
10. Rurali, R; Coluci, VR ; Galvao, DS : Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations. In: Physical Review B, 74 (8), pp. 085414, 2006. (Type: Journal Article | 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. In: Journal of Applied Physics, 99 (11), pp. 113511, 2006. (Type: Journal Article | 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. In: International Journal of Quantum Chemistry, 103 (5), pp. 588–596, 2005. (Type: Journal Article | Abstract | Links | BibTeX)
13. Konstantinova, Elena ; Galvao, Douglas S; Barone, Paulo MVB ; Dantas, Socrates O: Structural and electronic properties of radialenes and related systems. In: Journal of Molecular Structure: THEOCHEM, 729 (3), pp. 203–210, 2005. (Type: Journal Article | Abstract | Links | BibTeX)
14. Braga, Scheila Furtado ; Galvao, Douglas Soares : Benzo [c] quinolizin-3-ones theoretical investigation: SAR analysis and application to nontested compounds. In: Journal of chemical information and computer sciences, 44 (6), pp. 1987–1997, 2004. (Type: Journal Article | Abstract | Links | BibTeX)
15. Vendrame, R; Coluci, Vitor Rafael ; Galvao, Douglas Soares : Comparative parametric method 5 (PM5) study of trans-stilbene. In: Journal of Molecular Structure: THEOCHEM, 686 (1), pp. 103–108, 2004. (Type: Journal Article | 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. In: Physical Review Letters, 93 (21), pp. 216103, 2004. (Type: Journal Article | 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. In: Crystal growth & design, 4 (5), pp. 1079–1081, 2004. (Type: Journal Article | Abstract | Links | BibTeX)
18. Coluci, VR ; Braga, SF ; Legoas, SB ; Galvao, DS ; Baughman, RH : New families of carbon nanotubes based on graphyne motifs. In: Nanotechnology, 15 (4), pp. S142, 2004. (Type: Journal Article | 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. In: Journal of crystal growth, 266 (4), pp. 429–434, 2004. (Type: Journal Article | Abstract | Links | BibTeX)
20. Galvao, Douglas Soares ; Rodrigues, Varlei ; Ugarte, Daniel ; Legoas, Sergio Benites : The role of carbon contamination in metallic nanowires. In: Materials Research, 7 (2), pp. 339–342, 2004. (Type: Journal Article | Abstract | Links | BibTeX)
33 entries « 1 of 2 »

Show all

2015

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

Dibyendu Chakravarty Chandra Sekhar Tiwary, Leonardo Dantas Machado Gustavo Brunetto Soumya Vinod Ram Manohar Yadav Douglas Galvao Shrikant Joshi Govindan Sundararajan Pulickel Ajayan S V M

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

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)

Kunttal Keyshar Yongji Gong, Gonglan Ye Gustavo Brunetto Wu Zhou Daniel Cole Ken Hackenberg Yongmin He Leonardo Machado Mohamad Kabbani Amelia Hart Bo Li Douglas Galvao Antony George Robert Vajtai Chandra Sekhar Tiwary Pulickel Ajayan P H C S M

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

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

Mohamad A Kabbani Chandra Sekhar Tiwary, Pedro AS Autreto Gustavo Brunetto Anirban Som KR Krishnadas Sehmus Ozden Ken Hackenberg Yongi Gong Douglas Galvao Robert Vajtai Ahmad Kabbani Thalappil Pradeep Pulickel Ajayan P S T M

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

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

Nadia Ferreira Andrade Acrísio L Aguiar, Yoong Ahm Kim Morinobu Endo Paulo TC Freire Gustavo Bruneto Douglas Soares Galvao Mildred Dresselhaus Antonio Gomes Souza Filho S

Linear Carbon Chains Under High Pressure Conditions Journal Article

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

Gustavo Brunettoa Nadia F. Andradea, Douglas Galvao Antonio Souza Filho S G

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

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

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; dos Santos, Helio F; Galvao, Douglas S

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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