ReP USP - Resultado da busca

Artigo de periodico
Photophysics of tz Adenine and tz Guanine fluorescent nucleobases embedded into DNA and RNA (2023)
Beal, Roiney ; Valverde, Danillo ; Gonçalves, Paulo Fernando Bruno ; Borin, Antonio Carlos
Source: Journal of Computational Chemistry. Unidade: IQ
Subjects: DNA, RNA, ELETROSTÁTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BEAL, Roiney et al. Photophysics of tz Adenine and tz Guanine fluorescent nucleobases embedded into DNA and RNA. Journal of Computational Chemistry, v. 44, n. 29, p. 2246-2255, 2023Tradução . . Disponível em: https://doi.org/10.1002/jcc.27194. Acesso em: 27 abr. 2024.
APA
Beal, R., Valverde, D., Gonçalves, P. F. B., & Borin, A. C. (2023). Photophysics of tz Adenine and tz Guanine fluorescent nucleobases embedded into DNA and RNA. Journal of Computational Chemistry, 44( 29), 2246-2255. doi:10.1002/jcc.27194
NLM
Beal R, Valverde D, Gonçalves PFB, Borin AC. Photophysics of tz Adenine and tz Guanine fluorescent nucleobases embedded into DNA and RNA [Internet]. Journal of Computational Chemistry. 2023 ; 44( 29): 2246-2255.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.27194
Vancouver
Beal R, Valverde D, Gonçalves PFB, Borin AC. Photophysics of tz Adenine and tz Guanine fluorescent nucleobases embedded into DNA and RNA [Internet]. Journal of Computational Chemistry. 2023 ; 44( 29): 2246-2255.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.27194
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon (2023)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, CÉSIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, v. 44, p. 2478–2485, 2023Tradução . . Disponível em: https://doi.org/10.1002/jcc.27212. Acesso em: 27 abr. 2024.
APA
Gusmão, E. F., & Haiduke, R. L. A. (2023). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon. Journal of Computational Chemistry, 44, 2478–2485. doi:10.1002/jcc.27212
NLM
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.27212
Vancouver
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon [Internet]. Journal of Computational Chemistry. 2023 ;44 2478–2485.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.27212
Artigo de periodico
The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions (2022)
Macedo, Gabriel Kossaka; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: QUÍMICA TEÓRICA, QUÍMICA QUÂNTICA, REAÇÕES QUÍMICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MACEDO, Gabriel Kossaka e HAIDUKE, Roberto Luiz Andrade. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions. Journal of Computational Chemistry, p. 1-9, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26985. Acesso em: 27 abr. 2024.
APA
Macedo, G. K., & Haiduke, R. L. A. (2022). The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions. Journal of Computational Chemistry, 1-9. doi:10.1002/jcc.26985
NLM
Macedo GK, Haiduke RLA. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions [Internet]. Journal of Computational Chemistry. 2022 ;1-9.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26985
Vancouver
Macedo GK, Haiduke RLA. The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions [Internet]. Journal of Computational Chemistry. 2022 ;1-9.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26985
Artigo de periodico
Molecular properties and tautomeric equilibria of isolated flavins (2022)
Curtolo, Felipe ; Arantes, Guilherme Menegon
Source: Journal of Computational Chemistry. Unidade: IQ
Subjects: QUÍMICA QUÂNTICA, TAUTOMERIA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
CURTOLO, Felipe e ARANTES, Guilherme Menegon. Molecular properties and tautomeric equilibria of isolated flavins. Journal of Computational Chemistry, v. 43, n. 23, p. 1561-1572, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26957. Acesso em: 27 abr. 2024.
APA
Curtolo, F., & Arantes, G. M. (2022). Molecular properties and tautomeric equilibria of isolated flavins. Journal of Computational Chemistry, 43( 23), 1561-1572. doi:10.1002/jcc.26957
NLM
Curtolo F, Arantes GM. Molecular properties and tautomeric equilibria of isolated flavins [Internet]. Journal of Computational Chemistry. 2022 ; 43( 23): 1561-1572.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26957
Vancouver
Curtolo F, Arantes GM. Molecular properties and tautomeric equilibria of isolated flavins [Internet]. Journal of Computational Chemistry. 2022 ; 43( 23): 1561-1572.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26957
Artigo de periodico
Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon (2022)
Gusmão, Eriosvaldo Florentino ; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Subjects: ESTRUTURA ELETRÔNICA, HIDROGÊNIO, XENÔNIO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
GUSMÃO, Eriosvaldo Florentino e HAIDUKE, Roberto Luiz Andrade. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, p. 1-10, 2022Tradução . . Disponível em: https://doi.org/10.1002/jcc.26990. Acesso em: 27 abr. 2024.
APA
Gusmão, E. F., & Haiduke, R. L. A. (2022). Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon. Journal of Computational Chemistry, 1-10. doi:10.1002/jcc.26990
NLM
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26990
Vancouver
Gusmão EF, Haiduke RLA. Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon [Internet]. Journal of Computational Chemistry. 2022 ;1-10.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26990
Artigo de periodico
Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model (2019)
Silva, Natieli Alves da; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: LIGAÇÕES QUÍMICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Natieli Alves da e HAIDUKE, Roberto Luiz Andrade. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model. Journal of Computational Chemistry, v. 40, p. 2482-2490, 2019Tradução . . Disponível em: https://doi.org/10.1002/jcc.26024. Acesso em: 27 abr. 2024.
APA
Silva, N. A. da, & Haiduke, R. L. A. (2019). Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model. Journal of Computational Chemistry, 40, 2482-2490. doi:10.1002/jcc.26024
NLM
Silva NA da, Haiduke RLA. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model [Internet]. Journal of Computational Chemistry. 2019 ;40 2482-2490.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26024
Vancouver
Silva NA da, Haiduke RLA. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge–charge flux–dipole flux model [Internet]. Journal of Computational Chemistry. 2019 ;40 2482-2490.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.26024
Artigo de periodico
Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models (2017)
Silva, Vitor Hugo Menezes da; Batista, Ana Paula de Lima; Navarro, Oscar; Braga, Ataualpa Albert Carmo
Source: Journal of Computational Chemistry. Unidade: IQ
Subjects: PALÁDIO, CATÁLISE
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SILVA, Vitor Hugo Menezes da et al. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models. Journal of Computational Chemistry, v. 38, n. 28, p. 2371-2377, 2017Tradução . . Disponível em: https://doi.org/10.1002/jcc.24867. Acesso em: 27 abr. 2024.
APA
Silva, V. H. M. da, Batista, A. P. de L., Navarro, O., & Braga, A. A. C. (2017). Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models. Journal of Computational Chemistry, 38( 28), 2371-2377. doi:10.1002/jcc.24867
NLM
Silva VHM da, Batista AP de L, Navarro O, Braga AAC. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models [Internet]. Journal of Computational Chemistry. 2017 ; 38( 28): 2371-2377.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24867
Vancouver
Silva VHM da, Batista AP de L, Navarro O, Braga AAC. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: exploring density functionals methods and molecular models [Internet]. Journal of Computational Chemistry. 2017 ; 38( 28): 2371-2377.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24867
Artigo de periodico
Revisiting the concept of the (a)synchronicityof diels-alder reactions based on the dynamicsof quasiclassical trajectories (2016)
Souza, Miguel A. F. de; Ventura, Elizete; Monte, Silmar A. do; Riveros, José Manuel; Longo, Ricardo L
Source: Journal of Computational Chemistry. Unidade: IQ
Subjects: SINCRONICIDADE, REAÇÕES QUÍMICAS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SOUZA, Miguel A. F. de et al. Revisiting the concept of the (a)synchronicityof diels-alder reactions based on the dynamicsof quasiclassical trajectories. Journal of Computational Chemistry, v. 37, n. 8, p. 701-711, 2016Tradução . . Disponível em: https://doi.org/10.1002/jcc.24245. Acesso em: 27 abr. 2024.
APA
Souza, M. A. F. de, Ventura, E., Monte, S. A. do, Riveros, J. M., & Longo, R. L. (2016). Revisiting the concept of the (a)synchronicityof diels-alder reactions based on the dynamicsof quasiclassical trajectories. Journal of Computational Chemistry, 37( 8), 701-711. doi:10.1002/jcc.24245
NLM
Souza MAF de, Ventura E, Monte SA do, Riveros JM, Longo RL. Revisiting the concept of the (a)synchronicityof diels-alder reactions based on the dynamicsof quasiclassical trajectories [Internet]. Journal of Computational Chemistry. 2016 ; 37( 8): 701-711.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24245
Vancouver
Souza MAF de, Ventura E, Monte SA do, Riveros JM, Longo RL. Revisiting the concept of the (a)synchronicityof diels-alder reactions based on the dynamicsof quasiclassical trajectories [Internet]. Journal of Computational Chemistry. 2016 ; 37( 8): 701-711.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24245
Artigo de periodico
New density functional parameterization to accurate calculations of electric field gradient variations among compounds (2015)
Santiago, Regis Tadeu; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: QUÍMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SANTIAGO, Regis Tadeu e HAIDUKE, Roberto Luiz Andrade. New density functional parameterization to accurate calculations of electric field gradient variations among compounds. Journal of Computational Chemistry, v. 36, n. 28, p. 2125-2130, 2015Tradução . . Disponível em: https://doi.org/10.1002/jcc.24052. Acesso em: 27 abr. 2024.
APA
Santiago, R. T., & Haiduke, R. L. A. (2015). New density functional parameterization to accurate calculations of electric field gradient variations among compounds. Journal of Computational Chemistry, 36( 28), 2125-2130. doi:10.1002/jcc.24052
NLM
Santiago RT, Haiduke RLA. New density functional parameterization to accurate calculations of electric field gradient variations among compounds [Internet]. Journal of Computational Chemistry. 2015 ; 36( 28): 2125-2130.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24052
Vancouver
Santiago RT, Haiduke RLA. New density functional parameterization to accurate calculations of electric field gradient variations among compounds [Internet]. Journal of Computational Chemistry. 2015 ; 36( 28): 2125-2130.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.24052
Artigo de periodico
Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction (2013)
Brasil, Christiane Regina Soares Brasil; Delbem, Alexandre Cláudio Botazzo ; Silva, Fernando Luís Barroso da
Source: Journal of Computational Chemistry. Unidades: ICMC, FCFRP
Subjects: SISTEMAS EMBUTIDOS, COMPUTAÇÃO EVOLUTIVA, ROBÓTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
BRASIL, Christiane Regina Soares Brasil e DELBEM, Alexandre Cláudio Botazzo e SILVA, Fernando Luís Barroso da. Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction. Journal of Computational Chemistry, v. 34, n. 20, p. 1719-1734, 2013Tradução . . Disponível em: https://doi.org/10.1002/jcc.23315. Acesso em: 27 abr. 2024.
APA
Brasil, C. R. S. B., Delbem, A. C. B., & Silva, F. L. B. da. (2013). Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction. Journal of Computational Chemistry, 34( 20), 1719-1734. doi:10.1002/jcc.23315
NLM
Brasil CRSB, Delbem ACB, Silva FLB da. Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction [Internet]. Journal of Computational Chemistry. 2013 ; 34( 20): 1719-1734.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.23315
Vancouver
Brasil CRSB, Delbem ACB, Silva FLB da. Multiobjective evolutionary algorithm with many tables for purely ab initio protein structure prediction [Internet]. Journal of Computational Chemistry. 2013 ; 34( 20): 1719-1734.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.23315
Artigo de periodico
Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models (2013)
Teodoro, Tiago Quevedo; Haiduke, Roberto Luiz Andrade
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
TEODORO, Tiago Quevedo e HAIDUKE, Roberto Luiz Andrade. Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models. Journal of Computational Chemistry, v. 34, p. 2372-2379, 2013Tradução . . Disponível em: https://doi.org/10.1002/jcc.23400. Acesso em: 27 abr. 2024.
APA
Teodoro, T. Q., & Haiduke, R. L. A. (2013). Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models. Journal of Computational Chemistry, 34, 2372-2379. doi:10.1002/jcc.23400
NLM
Teodoro TQ, Haiduke RLA. Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2013 ; 34 2372-2379.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.23400
Vancouver
Teodoro TQ, Haiduke RLA. Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2013 ; 34 2372-2379.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.23400
Artigo de periodico
Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach (2010)
Planche, Alejandro Speck; Scotti, Marcus Tullius; Emerenciano, Vicente de Paulo; López, América García; Pérez, Enrique Molina; Uriarte, Eugenio
Source: Journal of Computational Chemistry. Unidade: IQ
Subjects: ANTIPARASITÁRIOS, DOENÇA DE CHAGAS, TRYPANOSOMA CRUZI
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PLANCHE, Alejandro Speck et al. Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach. Journal of Computational Chemistry, v. 31, n. 4, p. 882-894, 2010Tradução . . Disponível em: https://doi.org/10.1002/jcc.21374. Acesso em: 27 abr. 2024.
APA
Planche, A. S., Scotti, M. T., Emerenciano, V. de P., López, A. G., Pérez, E. M., & Uriarte, E. (2010). Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach. Journal of Computational Chemistry, 31( 4), 882-894. doi:10.1002/jcc.21374
NLM
Planche AS, Scotti MT, Emerenciano V de P, López AG, Pérez EM, Uriarte E. Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach [Internet]. Journal of Computational Chemistry. 2010 ; 31( 4): 882-894.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21374
Vancouver
Planche AS, Scotti MT, Emerenciano V de P, López AG, Pérez EM, Uriarte E. Designing novel antitrypanosomal agents from a mixed graph-theoretical substructural approach [Internet]. Journal of Computational Chemistry. 2010 ; 31( 4): 882-894.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21374
Artigo de periodico
Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments (2010)
Pasalic, Hasan; Aquino, Adélia J A; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H; Georg, Herbert C; Moraes, Tatiane F; Coutinho, Kaline Rabelo; Canuto, Sylvio; Lischka, Hans
Source: Journal of Computational Chemistry. Unidade: IF
Assunto: TERMODINÂMICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PASALIC, Hasan et al. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments. Journal of Computational Chemistry, v. 31, n. 10, 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=954925489848&svc.fulltext=yes. Acesso em: 27 abr. 2024.
APA
Pasalic, H., Aquino, A. J. A., Tunega, D., Haberhauer, G., Gerzabek, M. H., Georg, H. C., et al. (2010). Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments. Journal of Computational Chemistry, 31( 10). 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=954925489848&svc.fulltext=yes
NLM
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments [Internet]. Journal of Computational Chemistry. 2010 ;31( 10):[citado 2024 abr. 27 ] 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=954925489848&svc.fulltext=yes
Vancouver
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic Stability of Hydrogen-Bonded Systems in Polar and Nonpolar Environments [Internet]. Journal of Computational Chemistry. 2010 ;31( 10):[citado 2024 abr. 27 ] 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=954925489848&svc.fulltext=yes
Artigo de periodico
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments (2010)
Pasalic, Hasan; Aquino, Adélia J A; Tunega, Daniel; Haberhauer, Georg; Gerzabek, Martin H; Georg, Herbert C; Moraes, Tatiane F; Coutinho, Kaline Rabelo; Canuto, Sylvio; Lischka, Hans
Source: Journal of Computational Chemistry. Unidade: IF
Subjects: TERMODINÂMICA (FÍSICO-QUÍMICA), MÉTODO DE MONTE CARLO
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
PASALIC, Hasan et al. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, v. 31, n. 10, p. 2046-2055, 2010Tradução . . Disponível em: https://doi.org/10.1002/jcc.21491. Acesso em: 27 abr. 2024.
APA
Pasalic, H., Aquino, A. J. A., Tunega, D., Haberhauer, G., Gerzabek, M. H., Georg, H. C., et al. (2010). Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments. Journal of Computational Chemistry, 31( 10), 2046-2055. doi:10.1002/jcc.21491
NLM
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21491
Vancouver
Pasalic H, Aquino AJA, Tunega D, Haberhauer G, Gerzabek MH, Georg HC, Moraes TF, Coutinho KR, Canuto S, Lischka H. Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environments [Internet]. Journal of Computational Chemistry. 2010 ; 31( 10): 2046-2055.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21491
Artigo de periodico
PACKMOL: a package for building initial configurations for molecular dynamics simulations (2009)
Martínez, Leandro; Abrantes, Ricardo Luiz de Andrade; Birgin, Ernesto Julian Goldberg ; Martinez, Jesus Manuel
Source: Journal of Computational Chemistry. Unidade: IME
Subjects: METODOLOGIA E TÉCNICAS DE COMPUTAÇÃO, LÍQUIDOS IÔNICOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
MARTÍNEZ, Leandro et al. PACKMOL: a package for building initial configurations for molecular dynamics simulations. Journal of Computational Chemistry, v. 30, n. 13, p. 2157-2164, 2009Tradução . . Disponível em: https://doi.org/10.1002/jcc.21224. Acesso em: 27 abr. 2024.
APA
Martínez, L., Abrantes, R. L. de A., Birgin, E. J. G., & Martinez, J. M. (2009). PACKMOL: a package for building initial configurations for molecular dynamics simulations. Journal of Computational Chemistry, 30( 13), 2157-2164. doi:10.1002/jcc.21224
NLM
Martínez L, Abrantes RL de A, Birgin EJG, Martinez JM. PACKMOL: a package for building initial configurations for molecular dynamics simulations [Internet]. Journal of Computational Chemistry. 2009 ; 30( 13): 2157-2164.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21224
Vancouver
Martínez L, Abrantes RL de A, Birgin EJG, Martinez JM. PACKMOL: a package for building initial configurations for molecular dynamics simulations [Internet]. Journal of Computational Chemistry. 2009 ; 30( 13): 2157-2164.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.21224
Artigo de periodico
Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models (2006)
Haiduke, Roberto Luiz Andrade ; Silva, Alberico Borges Ferreira da
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HAIDUKE, Roberto Luiz Andrade e SILVA, Alberico Borges Ferreira da. Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, v. 27, n. 1, p. 61-71, 2006Tradução . . Disponível em: https://doi.org/10.1002/jcc.20321. Acesso em: 27 abr. 2024.
APA
Haiduke, R. L. A., & Silva, A. B. F. da. (2006). Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, 27( 1), 61-71. doi:10.1002/jcc.20321
NLM
Haiduke RLA, Silva ABF da. Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2006 ; 27( 1): 61-71.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20321
Vancouver
Haiduke RLA, Silva ABF da. Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2006 ; 27( 1): 61-71.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20321
Artigo de periodico
Application of standard DFT theory for nonbonded interactions in soft matter: prototype study of poly-para-phenylene (2006)
Alves-Santos, Marcelo; Ancalla Dávila, Liliana Yolanda; Petrilli, Helena Maria; Capaz, Rodrigo B; Caldas, Marília Junqueira
Source: Journal of Computational Chemistry. Unidade: IF
Assunto: ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA)
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
ALVES-SANTOS, Marcelo et al. Application of standard DFT theory for nonbonded interactions in soft matter: prototype study of poly-para-phenylene. Journal of Computational Chemistry, v. 27, n. 2, p. 217-227, 2006Tradução . . Disponível em: https://doi.org/10.1002/jcc.20326. Acesso em: 27 abr. 2024.
APA
Alves-Santos, M., Ancalla Dávila, L. Y., Petrilli, H. M., Capaz, R. B., & Caldas, M. J. (2006). Application of standard DFT theory for nonbonded interactions in soft matter: prototype study of poly-para-phenylene. Journal of Computational Chemistry, 27( 2), 217-227. doi:10.1002/jcc.20326
NLM
Alves-Santos M, Ancalla Dávila LY, Petrilli HM, Capaz RB, Caldas MJ. Application of standard DFT theory for nonbonded interactions in soft matter: prototype study of poly-para-phenylene [Internet]. Journal of Computational Chemistry. 2006 ; 27( 2): 217-227.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20326
Vancouver
Alves-Santos M, Ancalla Dávila LY, Petrilli HM, Capaz RB, Caldas MJ. Application of standard DFT theory for nonbonded interactions in soft matter: prototype study of poly-para-phenylene [Internet]. Journal of Computational Chemistry. 2006 ; 27( 2): 217-227.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20326
Artigo de periodico
Accurate relativistic adapted Gaussian basis sets for gaussian basis sets for cesium through radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models (2006)
Haiduke, Roberto Luiz Andrade ; Silva, Alberico Borges Ferreira da
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HAIDUKE, Roberto Luiz Andrade e SILVA, Alberico Borges Ferreira da. Accurate relativistic adapted Gaussian basis sets for gaussian basis sets for cesium through radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, v. 27, n. 16, p. 1970-1979, 2006Tradução . . Disponível em: http://www3.interscience.wiley.com/cgi-bin/jgraphissue/113411930. Acesso em: 27 abr. 2024.
APA
Haiduke, R. L. A., & Silva, A. B. F. da. (2006). Accurate relativistic adapted Gaussian basis sets for gaussian basis sets for cesium through radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, 27( 16), 1970-1979. Recuperado de http://www3.interscience.wiley.com/cgi-bin/jgraphissue/113411930
NLM
Haiduke RLA, Silva ABF da. Accurate relativistic adapted Gaussian basis sets for gaussian basis sets for cesium through radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2006 ; 27( 16): 1970-1979.[citado 2024 abr. 27 ] Available from: http://www3.interscience.wiley.com/cgi-bin/jgraphissue/113411930
Vancouver
Haiduke RLA, Silva ABF da. Accurate relativistic adapted Gaussian basis sets for gaussian basis sets for cesium through radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2006 ; 27( 16): 1970-1979.[citado 2024 abr. 27 ] Available from: http://www3.interscience.wiley.com/cgi-bin/jgraphissue/113411930
Artigo de periodico
An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models (2005)
Haiduke, Roberto Luiz Andrade ; Macedo, Luiz Guilherme Machado de; Silva, Alberico Borges Ferreira da
Source: Journal of Computational Chemistry. Unidade: IQSC
Assunto: QUÍMICA QUÂNTICA
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
HAIDUKE, Roberto Luiz Andrade e MACEDO, Luiz Guilherme Machado de e SILVA, Alberico Borges Ferreira da. An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, v. 26, n. 9, p. 932-940, 2005Tradução . . Disponível em: https://doi.org/10.1002/jcc.20223. Acesso em: 27 abr. 2024.
APA
Haiduke, R. L. A., Macedo, L. G. M. de, & Silva, A. B. F. da. (2005). An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models. Journal of Computational Chemistry, 26( 9), 932-940. doi:10.1002/jcc.20223
NLM
Haiduke RLA, Macedo LGM de, Silva ABF da. An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2005 ; 26( 9): 932-940.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20223
Vancouver
Haiduke RLA, Macedo LGM de, Silva ABF da. An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models [Internet]. Journal of Computational Chemistry. 2005 ; 26( 9): 932-940.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20223
Artigo de periodico
Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly-paraphenylene (2005)
Santos, Marcelo Alves dos; Ancalla Dávila, Liliana Yolanda; Petrilli, Helena Maria; Capaz, R B; Caldas, M J
Source: Journal of Computational Chemistry. Unidade: IF
Subjects: MATÉRIA CONDENSADA, ESTRUTURA MOLECULAR (QUÍMICA TEÓRICA), ESTRUTURA DOS SÓLIDOS
A citação é gerada automaticamente e pode não estar totalmente de acordo com as normas
ABNT
SANTOS, Marcelo Alves dos et al. Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly-paraphenylene. Journal of Computational Chemistry, v. 27, n. 2, p. 217-227, 2005Tradução . . Disponível em: https://doi.org/10.1002/jcc.20326. Acesso em: 27 abr. 2024.
APA
Santos, M. A. dos, Ancalla Dávila, L. Y., Petrilli, H. M., Capaz, R. B., & Caldas, M. J. (2005). Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly-paraphenylene. Journal of Computational Chemistry, 27( 2), 217-227. doi:10.1002/jcc.20326
NLM
Santos MA dos, Ancalla Dávila LY, Petrilli HM, Capaz RB, Caldas MJ. Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly-paraphenylene [Internet]. Journal of Computational Chemistry. 2005 ; 27( 2): 217-227.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20326
Vancouver
Santos MA dos, Ancalla Dávila LY, Petrilli HM, Capaz RB, Caldas MJ. Application of standard DFT theory for nonbonded interactions in soft matter: Prototype study of poly-paraphenylene [Internet]. Journal of Computational Chemistry. 2005 ; 27( 2): 217-227.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1002/jcc.20326

USP Schools

ReP

Filtros

USP Schools

Departament

Authors

USP affiliated authors

Date published

Subjects

Funding Agencies

Indexado em

Normalized affiliation

Non normalized affiliation