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1
A Joint theorical/experimental study of the conformational and electronic structure of the poly(2,5-dicyane-'rô'-phenylenevinylene)
A Joint theorical/experimental study of the conformational and electronic structure of the poly(2,5-dicyane-'rô'-phenylenevinylene)
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A Joint theorical/experimental study of the conformational and electronic structure of the poly(2,5-dicyane-'rô'-phenylenevinylene)

Jarem Raul Garcia André Maurício Brinatti; Yvonne Primerano Mascarenhas; Francisco Carlos Nart; Alexandre Camilo Júnior; International Symposium on Polymer Electrolytes (10. 2006 Foz do Iguaçú)

Book of Abstracts São Carlos : IQSC - USP, 2006

São Carlos IQSC - USP 2006

Localização: IFSC - Inst. Física de São Carlos    (PROD012718 ) e outros locais(Acessar)

2
Excitation energies from ground-state density-functionals by means of generator coordinates
Excitation energies from ground-state density-functionals by means of generator coordinates
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Excitation energies from ground-state density-functionals by means of generator coordinates

Ednilsom Orestes Alberico Borges Ferreira da Silva; Klaus Capelle; Escola Brasileira de Estrutura Eletrônica (11. 2008 Uberlândia)

Resumos São Paulo : Sociedade Brasileira de Física, 2008

São Paulo Sociedade Brasileira de Física 2008

Localização: IFSC - Inst. Física de São Carlos    (PROD014914 ) e outros locais(Acessar)

3
Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin
Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin
Material Type:
Artigo 		Adicionar ao Meu Espaço

Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin

Kélson Mota Teixeira de Oliveira Milan Trsic

Journal of Molecular Structure : Theochem Amsterdam v. 539, p. 107-117, 2001

Amsterdam 2001

Localização: IQSC - Inst. Química de São Carlos    (P5575 )(Acessar)

4
Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'
Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'
Material Type:
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Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'

Sebastião Claudino da Silva Douglas Wagner Franco

Spectrochimica Acta. Part A Amsterdam v.55, p.1515-1525, 1999

Amsterdam 1999

Localização: IQSC - Inst. Química de São Carlos    (P4885 )(Acessar)

5
Electron Transfer Mechanism in Gold Surface Modified with Self-Assembly Monolayers from First Principles
Electron Transfer Mechanism in Gold Surface Modified with Self-Assembly Monolayers from First Principles
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Electron Transfer Mechanism in Gold Surface Modified with Self-Assembly Monolayers from First Principles

Felipe Camargo Dalmatti Alves Lima Rodrigo M Iost; Frank Nelson Crespilho; Marília Junqueira Caldas; Arrigo Calzolari; Helena Maria Petrilli; APS March Meeting (Baltimo, Maryland 2013)

Maryland : APS, 2013 v. 58, n. 1, 2013 Abstracts

Maryland, APS 2013

Acesso online. A biblioteca também possui exemplares impressos.

6
An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst
An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst
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An Electronic Structure Study of the Conversion from 1,2-diphenylacetylene to (E)-1,2-diphenylethene Using a Bidentate Ru(II) - NC Catalyst

Jeyson Esquivel Curichimba Roberto Luiz Andrade Haiduke

European Journal of Inorganic Chemistry Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA p.e202200525, 2022

Weinheim 2022

Localização: IQSC - Inst. Química de São Carlos    (P20117 )(Acessar)

7
Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin
Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin
Material Type:
Artigo 		Adicionar ao Meu Espaço

Comparative theoretical study of the electronic structures and electronic spectra of 'Fe POT.2+'-,'Fe POT.+3'-porphyrin and free base porphyrin

Kélson Mota Teixeira de Oliveira Milan Trsic

Journal of Molecular Structure : Theochem Amsterdam v. 539, p. 107-117, 2001

Amsterdam 2001

Localização: IQSC - Inst. Química de São Carlos    (P5575 )(Acessar)

8
Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'
Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'
Material Type:
Artigo 		Adicionar ao Meu Espaço

Metastable excited state and electronic structure of '[Ru'(N'H IND.3') IND.5'NO] POT.3+' and '[Ru'(N'H IND.3') IND.4'(OH)NO] POT.2+'

Sebastião Claudino da Silva Douglas Wagner Franco

Spectrochimica Acta. Part A Amsterdam v.55, p.1515-1525, 1999

Amsterdam 1999

Localização: IQSC - Inst. Química de São Carlos    (P4885 )(Acessar)

9
Relativistic electronic structure theory. Pt. 2, Applications (dedicated to Prof. Pekka Pyykkö on the occasion of his 60th birthday)
Relativistic electronic structure theory. Pt. 2, Applications (dedicated to Prof. Pekka Pyykkö on the occasion of his 60th birthday)
Material Type:
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Relativistic electronic structure theory. Pt. 2, Applications (dedicated to Prof. Pekka Pyykkö on the occasion of his 60th birthday)

Pekka Pyykkö 1941-; Peter Schwerdtfeger

Amsterdam : Elsevier, London 2004

Localização: CQ - Conjunto das Químicas    (541.28 R382 Pt.2 ) e outros locais(Acessar)

10
Modern Density Functional Theory: A Tool For Chemistry
Modern Density Functional Theory: A Tool For Chemistry
Modern Density Functional Theory: A Tool For Chemistry
Material Type:
Livro 		Adicionar ao Meu Espaço

Modern Density Functional Theory: A Tool For Chemistry

P. Politzer Peter Politzer; J. M Seminario; Jorge M Seminario

Elsevier 1995

Acesso online. A biblioteca também possui exemplares impressos.

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Deste Autor:

  1. Haiduke, R
  2. Silva, A
  3. Capelle, K
  4. Nart, F
  5. Orestes, E

Neste Assunto:

  1. Estrutura Eletrônica
  2. Electronic Structure
  3. Química Teórica
  4. Energia
  5. Física Teórica

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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