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1

Estimating correlation energy of diatomic molecules and atoms with neural networks

e Silva, Geraldo Magela, Acioli, Paulo Hora, Pedroza, Antonio Carlos

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 179 KB

english, 1997

2

Casearin X, Its Degradation Product and Other Clerodane Diterpenes from Leaves of Casearia sylvestris: Evaluation of Cytotoxicity against Normal and Tumor Human Cells

André Gonzaga dos Santos, Paulo Michel Pinheiro Ferreira, Gerardo Magela Vieira Júnior, Carla Cristina Perez, Aristeu Gomes Tininis, Geraldo Humberto Silva, Vanderlan da Silva Bolzani, Letícia Veras C

Journal:

Chemistry & Biodiversity

Year:

2010

Language:

english

File:

PDF, 204 KB

english, 2010

3

Dynamic interaction between polarons and torsional vibrations in conjugated polymers

Alexandre Naves de Brito, Geraldo Magela e Silva

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

4

Interaction of Torsional Oscillations with Polarons and Bipolarons in Conjugated Polymer

Alexandre Naves de Brito, Geraldo Magela e Silva

Journal:

Synthetic Metals

Year:

2005

File:

PDF, 920 KB

2005

5

Dynamics of solitons in polyacetylene with interchain coupling

Magela e Silva, Geraldo, Terai, Akira

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 505 KB

english, 1993

6

Dynamics of conformational defects in poly(3-hexyl)thiophene

Magela e Silva, Geraldo, Naves de Brito, Alexandre, Correia, Nestor

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 112 KB

english, 1996

7

Polaron Properties in Armchair Graphene Nanoribbons

da Cunha, Wiliam Ferreira, Acioli, Paulo H, de Oliveira Neto, Pedro Henrique, Gargano, Ricardo, e Silva, Geraldo Magela

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 21.94 MB

english, 2016

8

Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons

Silva, Gesiel Gomes, da Cunha, Wiliam Ferreira, de Sousa Junior, Rafael Timóteo, Almeida Fonseca, Antonio Luciano, Ribeiro Júnior, Luiz Antônio, e Silva, Geraldo Magela

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 10.47 MB

english, 2018

9

Electron-phonon coupling in armchair silicene nanoribbons

da Silva, Jailson Gomes, Enders, Bernhard Georg, e Silva, Geraldo Magela, Fonseca, Antonio Luciano de Almeida

Journal:

Physics Letters A

Year:

2019

File:

PDF, 1.08 MB

2019

10

Smooth gap tuning strategy for cove-type graphene nanoribbons

de Sousa AraÃºjo Cassiano, Tiago, Monteiro, FÃ¡bio Ferreira, Evaristo de Sousa, Leonardo, Magela e Silva, Geraldo, de Oliveira Neto, Pedro Henrique

Journal:

Year:

2020

File:

PDF, 968 KB

2020

11

Investigating charge transport in molecular switches with neural networks

Acioli, Paulo Hora, Magela e Silva, Geraldo

Journal:

Journal of Computational Chemistry

Year:

1999

Language:

english

File:

PDF, 192 KB

english, 1999

12

Quantum bits with polyacetylene

Andre Elvas Pereira Da Silva, Geraldo Magela E Silva

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 81 KB

english, 2002

13

Catalysts of Cu(II) and Co(II) ions adsorbed in chitosan used in transesterification of soy bean and babassu oils – A new route for biodiesel syntheses

Rondinelly Brandão da Silva, Alcides Fernandes Lima Neto, Lucas Samuel Soares dos Santos, José Renato de Oliveira Lima, Mariana Helena Chaves, José Ribeiro dos Santos Jr., Geraldo Magela de Lima, Edmi

Journal:

Bioresource Technology

Year:

2008

Language:

english

File:

PDF, 156 KB

english, 2008

14

Theoretical calculations of a new potential energy surface for the H + Li2 reaction

Angelo M. Maniero, Paulo H. Acioli, Geraldo Magela e Silva, Ricardo Gargano

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 1.12 MB

english, 2010

15

Impurity effects on solitons in conjugated polymer linking model hamiltonians and ab initio method descriptions

Alessandra F. Albernaz Vilela, Ricardo Gargano, Geraldo Magela e Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 180 KB

english, 2006

16

A genetic algorithm to build diatomic potentials

Luiz Fernando Roncaratti, Ricardo Gargano, Geraldo Magela e Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

17

Photo-generation of polaron pairs in coupled chains of polyacetylene

Pedro Henrique de Oliveira Neto, Geraldo Magela e Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 130 KB

english, 2008

18

Transition of polaron to bipolaron structure in conjugated polymers

Matheus Paes Lima, Geraldo Magela e Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 1.76 MB

english, 2008

19

Dynamics of polarons and bipolarons with interchain coupling in conjugated polymers

Cleber Da Silva Pinheiro, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 109 KB

english, 2003

20

Polyacetylene as a qubit system

Andre Elvas Pereira Da Silva, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 90 KB

english, 2003

21

Structural phases of coupled polyacetylene chains with impurities

Paulo Henrique Alves Guimarães, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 282 KB

english, 2005

22

Quantum-controlled NOT gate made of coupled polyacetylene chains

Paulo Henrique Vales Guimarães, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 124 KB

english, 2005

23

Linking model Hamiltonians to ab initio and semiempirical methods in descriptions of impurities in conjugated polymers

Alessandra F. Albernaz Vilela, Ricardo Gargano, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 155 KB

english, 2005

24

Effects of impurities on polaron dynamics in conjugated polymers: Effective potentials

Matheus Paes Lima, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 184 KB

english, 2006

25

Polaron stability under collision with different defects in conjugated polymers

Matheus Paes Lima, Geraldo Magela e Silva

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 230 KB

english, 2006

26

Fitting potential energy surface of reactive systems via genetic algorithm

Wiliam Ferreira Da Cunha, Luiz Fernando Roncaratti, Ricardo Gargano, Geraldo Magela E Silva

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 251 KB

english, 2006

27

Chain length effects on nonlinear excitation transitions in trans-polyacetylene

Pedro Henrique de Oliveira Neto, Wiliam Ferreira da Cunha, Ricardo Gargano, Geraldo Magela e Silva

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 851 KB

english, 2008

28

Dynamics of photoexcitations with interchain coupling in conjugated polymers

Pedro Henrique de Oliveira Neto, Wiliam Ferreira da Cunha, Ricardo Gargano, Geraldo Magela e Silva

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 1.36 MB

english, 2008

29

Temperature effects on polaron stability in polyacetylene

Wiliam Ferreira da Cunha, Pedro Henrique de Oliveira Neto, Ricardo Gargano, Geraldo Magela e Silva

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 754 KB

english, 2008

30

Dynamical properties and thermal rate coefficients for the Na + HF reaction using genetic algorithm

Adoniel W. S. Antunes, Wiliam Ferreira Da Cunha, Geraldo Magela E Silva, João B. L. Martins, Ricardo Gargano

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 441 KB

english, 2010

31

Thermal rate coefficients calculation for the H+ + LiH reaction

Wiliam Ferreira Da Cunha, Patricia R. P. Barreto, Geraldo Magela E Silva, João B. L. Martins, Ricardo Gargano

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 207 KB

english, 2010

32

H2+ dynamical properties in the electronic states 7jσ, 8jσ, 8kσ, 7iπ, and 8jp

Alessandra S. Kiametis, Thiago A. M. Matheus, A. L. A. Fonseca, Geraldo Magela E Silva, Ricardo Gargano

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 87 KB

english, 2011

33

Interchain interaction effects on polaron–bipolaron transition on conducting polymers

José Rildo de Oliveira, Geraldo Magela e Silva

Journal:

Journal of Materials Science

Year:

2008

Language:

english

File:

PDF, 3.62 MB

english, 2008

34

Spectroscopic properties of the molecular ion in the 8kπ, 9kσ, 9lπ, 9lσ and 10oσ electronic states

Henrique Vieira Rivera Vila, Luciano Almeida Leal, Luiz Antônio Ribeiro, João Batista Lopes Martins, Geraldo Magela e Silva, Ricardo Gargano

Journal:

Journal of Molecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 289 KB

english, 2012

35

Collisions of solitons in polyacetylene

Cleber da Suva Pinheiro, Geraldo Magela e Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 624 KB

english, 1997

36

Dynamics of charge transfer in molecular switches

Geraldo Magela e Silva, Paulo Hora Acioli

Journal:

Synthetic Metals

Year:

1997

Language:

english

File:

PDF, 788 KB

english, 1997

37

Nonlinear excitations dynamics in molecular switches

Geraldo Magela e Silva

Journal:

Synthetic Metals

Year:

1997

Language:

english

File:

PDF, 213 KB

english, 1997

38

Dynamics of charge transfer in molecular switches II. Effective potentials and Coulomb interaction

Geraldo Magela e Silva, Yoshiyuki Ono

Journal:

Synthetic Metals

Year:

1998

Language:

english

File:

PDF, 641 KB

english, 1998

39

Prevalence of Dermatomycosis in a Brazilian Tertiary Care Hospital

Caroline Barcelos Costa-Orlandi, Geraldo Magela Magalhães, Milena Batista Oliveira, Erika Linzi Silva Taylor, Cynthia Roberta Souza Marques, Maria Aparecida de Resende-Stoianoff

Journal:

Year:

2012

Language:

english

File:

PDF, 254 KB

english, 2012

40

The H + Li2 bimolecular exchange reaction: Dynamical and kinetical properties at J = 0

Vila, Henrique Vieira Rivera, Leal, Luciano Almeida, Martins, João Batista Lopes, Skouteris, Dimitrios, e Silva, Geraldo Magela, Gargano, Ricardo

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

41

Electric-field effects on the competition between polarons and bipolarons in conjugated polymers

Magela e Silva, Geraldo

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 93 KB

english, 2000

42

Influence of bipolaron density on the transport properties of thermalized organic conductors

dos Santos, Marcos Andre Pereira, da Cunha, Wiliam Ferreira, de Oliveira Neto, Pedro Henrique, e Silva, Geraldo Magela

Journal:

International Journal of Quantum Chemistry

Year:

2013

Language:

english

File:

PDF, 475 KB

english, 2013

43

Molecular Dynamics Investigation of Charge Carrier Density Influence over Mobility in Conjugated Polymers †

de Oliveira Neto, Pedro Henrique, Ferreira da Cunha, Wiliam, Gargano, Ricardo, Magela e Silva, Geraldo

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 534 KB

english, 2009

44

Temperature and time dependence on ZnS microstructure and phases obtained through hydrothermal decomposition of diethyldithiocarbamate complexes

Siqueira, Guilherme Oliveira, Matencio, Tulio, da Silva, Herculano Vieira, de Souza, Yara Gonçalves, Ardisson, José Domingos, de Lima, Geraldo Magela, de Oliveira Porto, Arilza

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.67 MB

english, 2013

45

Anorectal melanoma – histopathological and immunohistochemical features and treatment

Cruz, Geraldo Magela Gomes da, Filho, José de Souza Andrade, Patrus, Gil, Leite, Sinara Mônica de Oliveira, da Silva, Ilson Geraldo, Teixeira, Ricardo Guimarães, Braga, Áurea Cassia Gualberto, Ferreir

Journal:

Journal of Coloproctology (Rio de Janeiro)

Year:

2014

File:

PDF, 1.70 MB

2014

46

Component production of castor bean crop irrigated by different soil water tensions

Rios, Gervásio Fernando Alves, de Carvalho, Luiz Gonsaga, Silva, Bruno Montoani, da Silva, Wellington Gomes, Rezende, Fátima Conceição, Pereira, Geraldo Magela

Journal:

Agricultural Water Management

Year:

2013

Language:

english

File:

PDF, 700 KB

english, 2013

47

Influence of the photoexcitation process on the dynamics of triplet excitons in organic polymers

de Carvalho, Guilherme Moraes, da Cunha, Wiliam Ferreira, de Oliveira Neto, Pedro Henrique, e Silva, Geraldo Magela

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 889 KB

english, 2013

48

Supersonic quasi-particles dynamics in organic semiconductors

da Silva, Marcus Vinícius Alves, de Oliveira Neto, Pedro Henrique, da Cunha, Wiliam Ferreira, Gargano, Ricardo, e Silva, Geraldo Magela

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 391 KB

english, 2012

49

A moving soliton in the TLM model

Silva, Geraldo Magela e, Wada, Yasushi

Journal:

Synthetic Metals

Year:

1991

Language:

english

File:

PDF, 128 KB

english, 1991

50

Predicting the equilibrium structure of organic semiconductors with genetic algorithms

Ribeiro, Luiz Antonio, de Oliveira Neto, Pedro Henrique, da Cunha, Wiliam Ferreira, Gargano, Ricardo, e Silva, Geraldo Magela

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 609 KB

english, 2013