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Artigo de periodico
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods (2019)
Cezar, Henrique Musseli; Coutinho, Kaline Rabelo ; Canuto, Sylvio Roberto Accioly
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: NANOTECNOLOGIA, MODELAGEM MOLECULAR
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ABNT
CEZAR, Henrique Musseli e COUTINHO, Kaline Rabelo e CANUTO, Sylvio Roberto Accioly. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, v. 119, n. 1, 2019Tradução . . Disponível em: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688. Acesso em: 01 out. 2024.
APA
Cezar, H. M., Coutinho, K. R., & Canuto, S. R. A. (2019). Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods. International Journal of Quantum Chemistry, 119( 1). doi:10.1002/qua.25688
NLM
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 out. 01 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Vancouver
Cezar HM, Coutinho KR, Canuto SRA. Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods [Internet]. International Journal of Quantum Chemistry. 2019 ; 119( 1):[citado 2024 out. 01 ] Available from: https://doi-org.ez67.periodicos.capes.gov.br/10.1002/qua.25688
Artigo de periodico
NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters (2018)
Chaudhuri, Puspitapallab; Provasi, Patricio F.; Canuto, Sylvio Roberto Accioly
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: ESTRUTURA ELETRÔNICA, ELETROSTÁTICA, NUCLEOSÍDEOS, CLUSTERS
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CHAUDHURI, Puspitapallab e PROVASI, Patricio F. e CANUTO, Sylvio Roberto Accioly. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, v. 118 n. 15, p. e25608, 2018Tradução . . Disponível em: https://doi.org/10.1002/qua.25608. Acesso em: 01 out. 2024.
APA
Chaudhuri, P., Provasi, P. F., & Canuto, S. R. A. (2018). NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. International Journal of Quantum Chemistry, 118 n. 15, e25608. doi:10.1002/qua.25608
NLM
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.25608
Vancouver
Chaudhuri P, Provasi PF, Canuto SRA. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters [Internet]. International Journal of Quantum Chemistry. 2018 ; 118 n. 15 e25608.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.25608
Editor de periodico
Proceedings of the 16th Brazilian symposium of theoretical chemistry (2012)
Duarte, Hélio; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, FÍSICO-QUÍMICA
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DUARTE, Hélio e CANUTO, Sylvio. Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Disponível em: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01. Acesso em: 01 out. 2024. , 2012
APA
Duarte, H., & Canuto, S. (2012). Proceedings of the 16th Brazilian symposium of theoretical chemistry. International Journal of Quantum Chemistry. New York: Wiley. Recuperado de http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
NLM
Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 out. 01 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
Vancouver
Duarte H, Canuto S. Proceedings of the 16th Brazilian symposium of theoretical chemistry [Internet]. International Journal of Quantum Chemistry. 2012 ;112( ju2012): 3131.[citado 2024 out. 01 ] Available from: http://onlinelibrary.wiley.com/doi/10.1002/qua.24261/abstract;jsessionid=988AEF50420D8AF23A10729B73134A99.d03t01
Artigo de periodico
Special issue: special issue dedicated to sylvio canuto (2011)
Coutinho, Kaline ; Cabral, Benedito J Costa; Custodio, Rogério
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assunto: FÍSICA (ESTUDO E ENSINO)
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COUTINHO, Kaline e CABRAL, Benedito J Costa e CUSTODIO, Rogério. Special issue: special issue dedicated to sylvio canuto. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1249-1250, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22887. Acesso em: 01 out. 2024.
APA
Coutinho, K., Cabral, B. J. C., & Custodio, R. (2011). Special issue: special issue dedicated to sylvio canuto. International Journal of Quantum Chemistry, 111( 7-8), 1249-1250. doi:10.1002/qua.22887
NLM
Coutinho K, Cabral BJC, Custodio R. Special issue: special issue dedicated to sylvio canuto [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1249-1250.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.22887
Vancouver
Coutinho K, Cabral BJC, Custodio R. Special issue: special issue dedicated to sylvio canuto [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1249-1250.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.22887
Artigo de periodico
IxV Curves of Boron and Nitrogen Doping Zigzag Graphene Nanoribbons (2011)
Padilha, José E ; Silva, Antonio J R da ; Fazzio, Adalberto ; Pontes, Renato B
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assunto: FÍSICA DA MATÉRIA CONDENSADA
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ABNT
PADILHA, José E et al. IxV Curves of Boron and Nitrogen Doping Zigzag Graphene Nanoribbons. International Journal of Quantum Chemistry, v. 111, n. 7-8, p. 1379-1386, 2011Tradução . . Disponível em: https://doi.org/10.1002/qua.22690. Acesso em: 01 out. 2024.
APA
Padilha, J. E., Silva, A. J. R. da, Fazzio, A., & Pontes, R. B. (2011). IxV Curves of Boron and Nitrogen Doping Zigzag Graphene Nanoribbons. International Journal of Quantum Chemistry, 111( 7-8), 1379-1386. doi:10.1002/qua.22690
NLM
Padilha JE, Silva AJR da, Fazzio A, Pontes RB. IxV Curves of Boron and Nitrogen Doping Zigzag Graphene Nanoribbons [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1379-1386.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.22690
Vancouver
Padilha JE, Silva AJR da, Fazzio A, Pontes RB. IxV Curves of Boron and Nitrogen Doping Zigzag Graphene Nanoribbons [Internet]. International Journal of Quantum Chemistry. 2011 ;111( 7-8): 1379-1386.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.22690
Artigo de periodico
Continuum, Discrete, and Explicit Solvation Models for Describing the Low-Lying Absorption Spectrum of the Pterin Acid in Aqueous Environment (2010)
Jaramillo, Paula; Coutinho, Kaline Rabelo; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assunto: ÁCIDOS
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ABNT
JARAMILLO, Paula e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Continuum, Discrete, and Explicit Solvation Models for Describing the Low-Lying Absorption Spectrum of the Pterin Acid in Aqueous Environment. International Journal of Quantum Chemistry, v. 110, n. 13, 2010Tradução . . Disponível em: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925407745&svc.fulltext=yes. Acesso em: 01 out. 2024.
APA
Jaramillo, P., Coutinho, K. R., & Canuto, S. (2010). Continuum, Discrete, and Explicit Solvation Models for Describing the Low-Lying Absorption Spectrum of the Pterin Acid in Aqueous Environment. International Journal of Quantum Chemistry, 110( 13). Recuperado de http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925407745&svc.fulltext=yes
NLM
Jaramillo P, Coutinho KR, Canuto S. Continuum, Discrete, and Explicit Solvation Models for Describing the Low-Lying Absorption Spectrum of the Pterin Acid in Aqueous Environment [Internet]. International Journal of Quantum Chemistry. 2010 ;110( 13):[citado 2024 out. 01 ] Available from: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925407745&svc.fulltext=yes
Vancouver
Jaramillo P, Coutinho KR, Canuto S. Continuum, Discrete, and Explicit Solvation Models for Describing the Low-Lying Absorption Spectrum of the Pterin Acid in Aqueous Environment [Internet]. International Journal of Quantum Chemistry. 2010 ;110( 13):[citado 2024 out. 01 ] Available from: http://link.periodicos.capes.gov.br/sfxlcl3?url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&ctx_enc=info:ofi/enc:UTF-8&ctx_ver=Z39.88-2004&rfr_id=info:sid/sfxit.com:azlist&sfx.ignore_date_threshold=1&rft.object_id=954925407745&svc.fulltext=yes
Artigo de periodico
Theoretical analysis of aggregation in block-copolymer films: the optical signature (2010)
Giro, Ronaldo; Davila, Liliana Y A; Machado, Angelita M; Caldas, Marília Junqueira; Akcelrud, Leni
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, POLÍMEROS (MATERIAIS)
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ABNT
GIRO, Ronaldo et al. Theoretical analysis of aggregation in block-copolymer films: the optical signature. International Journal of Quantum Chemistry, v. 110, n. 4, p. 885-892, 2010Tradução . . Disponível em: https://doi.org/10.1002/qua.21979. Acesso em: 01 out. 2024.
APA
Giro, R., Davila, L. Y. A., Machado, A. M., Caldas, M. J., & Akcelrud, L. (2010). Theoretical analysis of aggregation in block-copolymer films: the optical signature. International Journal of Quantum Chemistry, 110( 4), 885-892. doi:10.1002/qua.21979
NLM
Giro R, Davila LYA, Machado AM, Caldas MJ, Akcelrud L. Theoretical analysis of aggregation in block-copolymer films: the optical signature [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 4): 885-892.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.21979
Vancouver
Giro R, Davila LYA, Machado AM, Caldas MJ, Akcelrud L. Theoretical analysis of aggregation in block-copolymer films: the optical signature [Internet]. International Journal of Quantum Chemistry. 2010 ; 110( 4): 885-892.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.21979
Trabalho de evento-anais periodico
Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface (2008)
Canuto, Sylvio; Bielchowsky, Carlos E
Fonte: International Journal of Quantum Chemistry. Nome do evento: Brazilian Symposium Chemistry. Unidade: IF
Assuntos: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA
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ABNT
CANUTO, Sylvio e BIELCHOWSKY, Carlos E. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface. International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons. Disponível em: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART. Acesso em: 01 out. 2024. , 2008
APA
Canuto, S., & Bielchowsky, C. E. (2008). Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface. International Journal of Quantum Chemistry. Hoboken: John Wiley & Sons. Recuperado de http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
NLM
Canuto S, Bielchowsky CE. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 13): 2305.[citado 2024 out. 01 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
Vancouver
Canuto S, Bielchowsky CE. Proceedings of the XIV Brazilian Symposium of Theoretical Chemistry: preface [Internet]. International Journal of Quantum Chemistry. 2008 ; 108( 13): 2305.[citado 2024 out. 01 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/120751498/PDFSTART
Artigo de periodico
Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface (2006)
Canuto, Sylvio; Gama, Alfredo Arnóbio da
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA
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ABNT
CANUTO, Sylvio e GAMA, Alfredo Arnóbio da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface. International Journal of Quantum Chemistry, v. 106, n. 13, p. 1, 2006Tradução . . Disponível em: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART. Acesso em: 01 out. 2024.
APA
Canuto, S., & Gama, A. A. da. (2006). Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface. International Journal of Quantum Chemistry, 106( 13), 1. Recuperado de http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
NLM
Canuto S, Gama AA da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 1.[citado 2024 out. 01 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
Vancouver
Canuto S, Gama AA da. Proceedings of the XIII Brazilian Symposium of Theoretical Chemistry: Preface [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 1.[citado 2024 out. 01 ] Available from: http://www3.interscience.wiley.com/cgi-bin/fulltext/112655464/PDFSTART
Artigo de periodico
Theoretical electronic spectra of 2- Aminopurine in vapor and in water (2006)
Borin, Antonio Carlos ; Serrano-Andrés, Luis; Ludwig, Valdemir; Coutinho, Kaline Rabelo; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidades: IQ, IF
Assuntos: QUÍMICA TEÓRICA, FÍSICO-QUÍMICA, QUÍMICA QUÂNTICA, MÉTODO DE MONTE CARLO
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ABNT
BORIN, Antonio Carlos et al. Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, v. 106, n. 13, p. 2564-2577, 2006Tradução . . Disponível em: https://doi.org/10.1002/qua.20967. Acesso em: 01 out. 2024.
APA
Borin, A. C., Serrano-Andrés, L., Ludwig, V., Coutinho, K. R., & Canuto, S. (2006). Theoretical electronic spectra of 2- Aminopurine in vapor and in water. International Journal of Quantum Chemistry, 106( 13), 2564-2577. doi:10.1002/qua.20967
NLM
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto S. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20967
Vancouver
Borin AC, Serrano-Andrés L, Ludwig V, Coutinho KR, Canuto S. Theoretical electronic spectra of 2- Aminopurine in vapor and in water [Internet]. International Journal of Quantum Chemistry. 2006 ; 106( 13): 2564-2577.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20967
Artigo de periodico
Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface (2005)
Zanella, Ivana; Fazzio, Adalberto; Silva, Antonio Jose Roque da
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, SUPERFÍCIE FÍSICA, ESTRUTURA ELETRÔNICA, PROPRIEDADES DOS MATERIAIS
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ABNT
ZANELLA, Ivana e FAZZIO, Adalberto e SILVA, Antonio Jose Roque da. Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface. International Journal of Quantum Chemistry, v. 103, n. 5, p. 557-561, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20528. Acesso em: 01 out. 2024.
APA
Zanella, I., Fazzio, A., & Silva, A. J. R. da. (2005). Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface. International Journal of Quantum Chemistry, 103( 5), 557-561. doi:10.1002/qua.20528
NLM
Zanella I, Fazzio A, Silva AJR da. Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 557-561.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20528
Vancouver
Zanella I, Fazzio A, Silva AJR da. Electronic and structural properties of "C IND.59" Si on the monohydride Si(100) surface [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 557-561.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20528
Artigo de periodico
Theoretical investigation of hydrogen bonding in lactonitrile water complexes (2005)
Rivelino, Roberto; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, ESPECTROSCOPIA ATÔMICA, ESPECTROSCOPIA MOLECULAR
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ABNT
RIVELINO, Roberto e CANUTO, Sylvio. Theoretical investigation of hydrogen bonding in lactonitrile water complexes. International Journal of Quantum Chemistry, v. 103, n. 5, p. 654-658, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20535. Acesso em: 01 out. 2024.
APA
Rivelino, R., & Canuto, S. (2005). Theoretical investigation of hydrogen bonding in lactonitrile water complexes. International Journal of Quantum Chemistry, 103( 5), 654-658. doi:10.1002/qua.20535
NLM
Rivelino R, Canuto S. Theoretical investigation of hydrogen bonding in lactonitrile water complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 654-658.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20535
Vancouver
Rivelino R, Canuto S. Theoretical investigation of hydrogen bonding in lactonitrile water complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 654-658.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20535
Artigo de periodico
Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes (2005)
Fileti, Eudes Eterno; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, RESSONÂNCIA MAGNÉTICA NUCLEAR, ESTRUTURA ELETRÔNICA
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ABNT
FILETI, Eudes Eterno e CANUTO, Sylvio. Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes. International Journal of Quantum Chemistry, v. 102, n. 5, p. 554-564, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20437. Acesso em: 01 out. 2024.
APA
Fileti, E. E., & Canuto, S. (2005). Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes. International Journal of Quantum Chemistry, 102( 5), 554-564. doi:10.1002/qua.20437
NLM
Fileti EE, Canuto S. Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 102( 5): 554-564.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20437
Vancouver
Fileti EE, Canuto S. Ab initio NMR study of the isomerichydrogen-bonded methanol water complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 102( 5): 554-564.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20437
Artigo de periodico
Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes (2005)
Fileti, Eudes Eterno; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, QUÍMICA TEÓRICA, ESPECTROSCOPIA INFRAVERMELHA
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ABNT
FILETI, Eudes Eterno e CANUTO, Sylvio. Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes. International Journal of Quantum Chemistry, v. 104, n. 5, p. 808-815, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20585. Acesso em: 01 out. 2024.
APA
Fileti, E. E., & Canuto, S. (2005). Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes. International Journal of Quantum Chemistry, 104( 5), 808-815. doi:10.1002/qua.20585
NLM
Fileti EE, Canuto S. Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 104( 5): 808-815.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20585
Vancouver
Fileti EE, Canuto S. Calculated infrared spectra of hydrogen-bonded methanol-water, water-methanol, and methanol-methanol complexes [Internet]. International Journal of Quantum Chemistry. 2005 ; 104( 5): 808-815.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20585
Artigo de periodico
Band gap engineering for poly(pphenylene) and poly(p-phenylene vinylene) copolymers using the tight- binding approach (2005)
Giro, R; Caldas, Marília Junqueira; Galvão, D S
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, POLÍMEROS (MATERIAIS), PROPRIEDADES DOS MATERIAIS
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ABNT
GIRO, R e CALDAS, Marília Junqueira e GALVÃO, D S. Band gap engineering for poly(pphenylene) and poly(p-phenylene vinylene) copolymers using the tight- binding approach. International Journal of Quantum Chemistry, v. 103, n. 5, p. 588-596, 2005Tradução . . Disponível em: https://doi.org/10.1002/qua.20551. Acesso em: 01 out. 2024.
APA
Giro, R., Caldas, M. J., & Galvão, D. S. (2005). Band gap engineering for poly(pphenylene) and poly(p-phenylene vinylene) copolymers using the tight- binding approach. International Journal of Quantum Chemistry, 103( 5), 588-596. doi:10.1002/qua.20551
NLM
Giro R, Caldas MJ, Galvão DS. Band gap engineering for poly(pphenylene) and poly(p-phenylene vinylene) copolymers using the tight- binding approach [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 588-596.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20551
Vancouver
Giro R, Caldas MJ, Galvão DS. Band gap engineering for poly(pphenylene) and poly(p-phenylene vinylene) copolymers using the tight- binding approach [Internet]. International Journal of Quantum Chemistry. 2005 ; 103( 5): 588-596.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.20551
Artigo de periodico
A QM/MM hybrid simulation of 5-hydroxytryptophan in solution (2003)
Amaral, M S; Loos, M; Ito, Amando S.
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: QUÍMICA QUÂNTICA, QUÍMICA TEÓRICA, ESPECTROSCOPIA MOLECULAR
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ABNT
AMARAL, M S e LOOS, M e ITO, Amando S. A QM/MM hybrid simulation of 5-hydroxytryptophan in solution. International Journal of Quantum Chemistry, v. 95, n. 3, p. 289-294, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10697. Acesso em: 01 out. 2024.
APA
Amaral, M. S., Loos, M., & Ito, A. S. (2003). A QM/MM hybrid simulation of 5-hydroxytryptophan in solution. International Journal of Quantum Chemistry, 95( 3), 289-294. doi:10.1002/qua.10697
NLM
Amaral MS, Loos M, Ito AS. A QM/MM hybrid simulation of 5-hydroxytryptophan in solution [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 3): 289-294.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10697
Vancouver
Amaral MS, Loos M, Ito AS. A QM/MM hybrid simulation of 5-hydroxytryptophan in solution [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 3): 289-294.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10697
Artigo de periodico
Applications of density functional theory methods in millimeter-wave spectroscopy (2003)
Rissi, Eduardo; Rivelino, Roberto; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: QUÍMICA QUÂNTICA, ESPECTROSCOPIA ELETRÔNICA, ESTRUTURA ELETRÔNICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
RISSI, Eduardo e RIVELINO, Roberto e CANUTO, Sylvio. Applications of density functional theory methods in millimeter-wave spectroscopy. International Journal of Quantum Chemistry, v. 91, n. 4, p. 575-585, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10476. Acesso em: 01 out. 2024.
APA
Rissi, E., Rivelino, R., & Canuto, S. (2003). Applications of density functional theory methods in millimeter-wave spectroscopy. International Journal of Quantum Chemistry, 91( 4), 575-585. doi:10.1002/qua.10476
NLM
Rissi E, Rivelino R, Canuto S. Applications of density functional theory methods in millimeter-wave spectroscopy [Internet]. International Journal of Quantum Chemistry. 2003 ; 91( 4): 575-585.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10476
Vancouver
Rissi E, Rivelino R, Canuto S. Applications of density functional theory methods in millimeter-wave spectroscopy [Internet]. International Journal of Quantum Chemistry. 2003 ; 91( 4): 575-585.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10476
Artigo de periodico
Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments (2003)
Ludwig, Valdemir; Coutinho, Kaline Rabelo; Borin, Antonio Carlos ; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidades: IF, IQ
Assuntos: MÉTODO DE MONTE CARLO, MECÂNICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
LUDWIG, Valdemir et al. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments. International Journal of Quantum Chemistry, v. 95, n. 4-5, p. 572-579, 2003Tradução . . Disponível em: https://doi.org/10.1002/qua.10688. Acesso em: 01 out. 2024.
APA
Ludwig, V., Coutinho, K. R., Borin, A. C., & Canuto, S. (2003). Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments. International Journal of Quantum Chemistry, 95( 4-5), 572-579. doi:10.1002/qua.10688
NLM
Ludwig V, Coutinho KR, Borin AC, Canuto S. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 4-5): 572-579.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10688
Vancouver
Ludwig V, Coutinho KR, Borin AC, Canuto S. Electronic polarization of 1H-benzotriazole in water: ground and first excited-state dipole moments [Internet]. International Journal of Quantum Chemistry. 2003 ; 95( 4-5): 572-579.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10688
Artigo de periodico
Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue (2002)
Serrano, Agostinho; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assunto: ESPECTROSCOPIA RAMAN
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SERRANO, Agostinho e CANUTO, Sylvio. Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue. International Journal of Quantum Chemistry, v. 87, n. 5, p. 275-279, 2002Tradução . . Disponível em: https://doi.org/10.1002/qua.10120. Acesso em: 01 out. 2024.
APA
Serrano, A., & Canuto, S. (2002). Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue. International Journal of Quantum Chemistry, 87( 5), 275-279. doi:10.1002/qua.10120
NLM
Serrano A, Canuto S. Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue [Internet]. International Journal of Quantum Chemistry. 2002 ; 87( 5): 275-279.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10120
Vancouver
Serrano A, Canuto S. Effect of bond-length alternation on the dipole hyperpolarizability of phenol blue [Internet]. International Journal of Quantum Chemistry. 2002 ; 87( 5): 275-279.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10120
Artigo de periodico
Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics (2002)
Quintão, Andrea Dias; Coutinho, Kaline Rabelo; Canuto, Sylvio
Fonte: International Journal of Quantum Chemistry. Unidade: IF
Assuntos: FÍSICO-QUÍMICA, QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
QUINTÃO, Andrea Dias e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics. International Journal of Quantum Chemistry, v. 90, n. 2, p. 634-640, 2002Tradução . . Disponível em: https://doi.org/10.1002/qua.10059. Acesso em: 01 out. 2024.
APA
Quintão, A. D., Coutinho, K. R., & Canuto, S. (2002). Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics. International Journal of Quantum Chemistry, 90( 2), 634-640. doi:10.1002/qua.10059
NLM
Quintão AD, Coutinho KR, Canuto S. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics [Internet]. International Journal of Quantum Chemistry. 2002 ; 90( 2): 634-640.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10059
Vancouver
Quintão AD, Coutinho KR, Canuto S. Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamics [Internet]. International Journal of Quantum Chemistry. 2002 ; 90( 2): 634-640.[citado 2024 out. 01 ] Available from: https://doi.org/10.1002/qua.10059

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