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Artigo de periodico
Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization (2007)
Georg, H C; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: MATÉRIA CONDENSADA, MÉTODO DE MONTE CARLO, MÉTODOS MCMC
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ABNT
GEORG, H C e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization. Journal of Chemical Physics, v. 126, n. 3, p. 034507/1-034507/8, 2007Tradução . . Disponível em: https://doi.org/10.1063/1.2426346. Acesso em: 10 ago. 2024.
APA
Georg, H. C., Coutinho, K. R., & Canuto, S. (2007). Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization. Journal of Chemical Physics, 126( 3), 034507/1-034507/8. doi:10.1063/1.2426346
NLM
Georg HC, Coutinho KR, Canuto S. Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization [Internet]. Journal of Chemical Physics. 2007 ; 126( 3): 034507/1-034507/8.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2426346
Vancouver
Georg HC, Coutinho KR, Canuto S. Solvent effects on the UV-visible absorption spectrum of benzophenone in water: a combined Monte Carlo quantum mechanics study including solute polarization [Internet]. Journal of Chemical Physics. 2007 ; 126( 3): 034507/1-034507/8.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2426346
Artigo de periodico
Probing supercritical water with the n-''pi' POT.*' transition of acetone: a Monte Carlo/quantum mechanics study (2007)
Fonseca, Tertius; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: MATÉRIA CONDENSADA, MÉTODO DE MONTE CARLO, MÉTODOS MCMC
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FONSECA, Tertius e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Probing supercritical water with the n-''pi' POT.*' transition of acetone: a Monte Carlo/quantum mechanics study. Journal of Chemical Physics, v. 126, n. 3, p. 034508/1-034508/9, 2007Tradução . . Disponível em: http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000126000003034508000001&idtype=cvips. Acesso em: 10 ago. 2024.
APA
Fonseca, T., Coutinho, K. R., & Canuto, S. (2007). Probing supercritical water with the n-''pi' POT.*' transition of acetone: a Monte Carlo/quantum mechanics study. Journal of Chemical Physics, 126( 3), 034508/1-034508/9. Recuperado de http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000126000003034508000001&idtype=cvips
NLM
Fonseca T, Coutinho KR, Canuto S. Probing supercritical water with the n-''pi' POT.*' transition of acetone: a Monte Carlo/quantum mechanics study [Internet]. Journal of Chemical Physics. 2007 ; 126( 3): 034508/1-034508/9.[citado 2024 ago. 10 ] Available from: http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000126000003034508000001&idtype=cvips
Vancouver
Fonseca T, Coutinho KR, Canuto S. Probing supercritical water with the n-''pi' POT.*' transition of acetone: a Monte Carlo/quantum mechanics study [Internet]. Journal of Chemical Physics. 2007 ; 126( 3): 034508/1-034508/9.[citado 2024 ago. 10 ] Available from: http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000126000003034508000001&idtype=cvips
Artigo de periodico
Simple implementation of complex functionals: scaled self-consistency (2007)
Lima, Matheus P.; Pedroza, Luana Sucupira; Silva, Antonio José Roque da; Fazzio, Adalberto; Vieira, Daniel; Freire, Henrique Jota de Paula; Capelle, Klaus
Source: Journal of Chemical Physics. Unidades: IF, IFSC
Subjects: ANÁLISE FUNCIONAL, DENSIDADE
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LIMA, Matheus P. et al. Simple implementation of complex functionals: scaled self-consistency. Journal of Chemical Physics, v. 126, p. 144107-1-144107-13, 2007Tradução . . Disponível em: https://doi.org/10.1063/1.2715567. Acesso em: 10 ago. 2024.
APA
Lima, M. P., Pedroza, L. S., Silva, A. J. R. da, Fazzio, A., Vieira, D., Freire, H. J. de P., & Capelle, K. (2007). Simple implementation of complex functionals: scaled self-consistency. Journal of Chemical Physics, 126, 144107-1-144107-13. doi:10.1063/1.2715567
NLM
Lima MP, Pedroza LS, Silva AJR da, Fazzio A, Vieira D, Freire HJ de P, Capelle K. Simple implementation of complex functionals: scaled self-consistency [Internet]. Journal of Chemical Physics. 2007 ; 126 144107-1-144107-13.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2715567
Vancouver
Lima MP, Pedroza LS, Silva AJR da, Fazzio A, Vieira D, Freire HJ de P, Capelle K. Simple implementation of complex functionals: scaled self-consistency [Internet]. Journal of Chemical Physics. 2007 ; 126 144107-1-144107-13.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2715567
Artigo de periodico
A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water (2005)
Georg, Herbert de Castro; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICO-QUÍMICA, MÉTODO DE MONTE CARLO, MÉTODOS MCMC
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ABNT
GEORG, Herbert de Castro e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water. Journal of Chemical Physics, v. 123, n. 12, p. 124307/1-124307/8, 2005Tradução . . Disponível em: https://doi.org/10.1063/1.2033750. Acesso em: 10 ago. 2024.
APA
Georg, H. de C., Coutinho, K. R., & Canuto, S. (2005). A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water. Journal of Chemical Physics, 123( 12), 124307/1-124307/8. doi:10.1063/1.2033750
NLM
Georg H de C, Coutinho KR, Canuto S. A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water [Internet]. Journal of Chemical Physics. 2005 ; 123( 12): 124307/1-124307/8.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2033750
Vancouver
Georg H de C, Coutinho KR, Canuto S. A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in water [Internet]. Journal of Chemical Physics. 2005 ; 123( 12): 124307/1-124307/8.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2033750
Artigo de periodico
Maleic anhydride adsorption on silicon (001) (2005)
Miotto, P; Ferraz, A. C.; Srivastava, G. P.
Source: Journal of Chemical Physics. Unidade: IF
Subjects: FÍSICO-QUÍMICA, ESTRUTURA ELETRÔNICA, SUPERFÍCIE FÍSICA, SEMICONDUTORES
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ABNT
MIOTTO, P e FERRAZ, A. C. e SRIVASTAVA, G. P. Maleic anhydride adsorption on silicon (001). Journal of Chemical Physics, v. 123, n. 7, p. 074708/1-074708/9, 2005Tradução . . Disponível em: https://doi.org/10.1063/1.2006676. Acesso em: 10 ago. 2024.
APA
Miotto, P., Ferraz, A. C., & Srivastava, G. P. (2005). Maleic anhydride adsorption on silicon (001). Journal of Chemical Physics, 123( 7), 074708/1-074708/9. doi:10.1063/1.2006676
NLM
Miotto P, Ferraz AC, Srivastava GP. Maleic anhydride adsorption on silicon (001) [Internet]. Journal of Chemical Physics. 2005 ; 123( 7): 074708/1-074708/9.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2006676
Vancouver
Miotto P, Ferraz AC, Srivastava GP. Maleic anhydride adsorption on silicon (001) [Internet]. Journal of Chemical Physics. 2005 ; 123( 7): 074708/1-074708/9.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.2006676
Artigo de periodico
Quantifying multiple-body interaction terms in H-banded HCN chains with many-body pertubation/coupled-cluster theories (2003)
Rivelino, Roberto; Chaudhuri, Puspitapallab; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: QUÍMICA QUÂNTICA, ESPECTROSCOPIA MOLECULAR
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ABNT
RIVELINO, Roberto e CHAUDHURI, Puspitapallab e CANUTO, Sylvio. Quantifying multiple-body interaction terms in H-banded HCN chains with many-body pertubation/coupled-cluster theories. Journal of Chemical Physics, 2003Tradução . . Disponível em: https://doi.org/10.1063/1.1575195. Acesso em: 10 ago. 2024.
APA
Rivelino, R., Chaudhuri, P., & Canuto, S. (2003). Quantifying multiple-body interaction terms in H-banded HCN chains with many-body pertubation/coupled-cluster theories. Journal of Chemical Physics. doi:10.1063/1.1575195
NLM
Rivelino R, Chaudhuri P, Canuto S. Quantifying multiple-body interaction terms in H-banded HCN chains with many-body pertubation/coupled-cluster theories [Internet]. Journal of Chemical Physics. 2003 ;[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.1575195
Vancouver
Rivelino R, Chaudhuri P, Canuto S. Quantifying multiple-body interaction terms in H-banded HCN chains with many-body pertubation/coupled-cluster theories [Internet]. Journal of Chemical Physics. 2003 ;[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.1575195
Artigo de periodico
Ab initio calculation of hydrogen bonds in liquids: a sequential Monte Carlo quantum mechanics study of pyridine in water (2002)
Malaspina, Thaciana; Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Subjects: MECÂNICA QUÂNTICA, MÉTODO DE MONTE CARLO, ESPECTROSCOPIA MOLECULAR
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ABNT
MALASPINA, Thaciana e COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Ab initio calculation of hydrogen bonds in liquids: a sequential Monte Carlo quantum mechanics study of pyridine in water. Journal of Chemical Physics, v. 117, n. 4, p. 1692-1699, 2002Tradução . . Disponível em: https://doi.org/10.1063/1.1485963. Acesso em: 10 ago. 2024.
APA
Malaspina, T., Coutinho, K. R., & Canuto, S. (2002). Ab initio calculation of hydrogen bonds in liquids: a sequential Monte Carlo quantum mechanics study of pyridine in water. Journal of Chemical Physics, 117( 4), 1692-1699. doi:10.1063/1.1485963
NLM
Malaspina T, Coutinho KR, Canuto S. Ab initio calculation of hydrogen bonds in liquids: a sequential Monte Carlo quantum mechanics study of pyridine in water [Internet]. Journal of Chemical Physics. 2002 ; 117( 4): 1692-1699.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.1485963
Vancouver
Malaspina T, Coutinho KR, Canuto S. Ab initio calculation of hydrogen bonds in liquids: a sequential Monte Carlo quantum mechanics study of pyridine in water [Internet]. Journal of Chemical Physics. 2002 ; 117( 4): 1692-1699.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.1485963
Artigo de periodico
Comparative study of dissociative adsorption of 'NH IND.3', 'PH IND.3', and 'AsH IND.3' on Si(001)-(2X1) (2001)
Miotto, R.; Srivastava, G P; Miwa, R H; Ferraz, A. C.
Source: Journal of Chemical Physics. Unidade: IF
Subjects: MICROSCOPIA, FEIXES, ABSORÇÃO, SUPERFÍCIE FÍSICA
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ABNT
MIOTTO, R. et al. Comparative study of dissociative adsorption of 'NH IND.3', 'PH IND.3', and 'AsH IND.3' on Si(001)-(2X1). Journal of Chemical Physics, v. 114, n. 21, p. 9549-9556, 2001Tradução . . Disponível em: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000114000021009549000001&idtype=cvips. Acesso em: 10 ago. 2024.
APA
Miotto, R., Srivastava, G. P., Miwa, R. H., & Ferraz, A. C. (2001). Comparative study of dissociative adsorption of 'NH IND.3', 'PH IND.3', and 'AsH IND.3' on Si(001)-(2X1). Journal of Chemical Physics, 114( 21), 9549-9556. Recuperado de http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000114000021009549000001&idtype=cvips
NLM
Miotto R, Srivastava GP, Miwa RH, Ferraz AC. Comparative study of dissociative adsorption of 'NH IND.3', 'PH IND.3', and 'AsH IND.3' on Si(001)-(2X1) [Internet]. Journal of Chemical Physics. 2001 ; 114( 21): 9549-9556.[citado 2024 ago. 10 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000114000021009549000001&idtype=cvips
Vancouver
Miotto R, Srivastava GP, Miwa RH, Ferraz AC. Comparative study of dissociative adsorption of 'NH IND.3', 'PH IND.3', and 'AsH IND.3' on Si(001)-(2X1) [Internet]. Journal of Chemical Physics. 2001 ; 114( 21): 9549-9556.[citado 2024 ago. 10 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000114000021009549000001&idtype=cvips
Artigo de periodico
Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene (2000)
Coutinho, Kaline Rabelo; Canuto, Sylvio; Zerner, M C
Source: Journal of Chemical Physics. Unidade: IF
Assunto: FÍSICO-QUÍMICA
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ABNT
COUTINHO, Kaline Rabelo e CANUTO, Sylvio e ZERNER, M C. Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene. Journal of Chemical Physics, v. 112, n. 22, p. 9874-9880, 2000Tradução . . Disponível em: https://doi.org/10.1063/1.481624. Acesso em: 10 ago. 2024.
APA
Coutinho, K. R., Canuto, S., & Zerner, M. C. (2000). Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene. Journal of Chemical Physics, 112( 22), 9874-9880. doi:10.1063/1.481624
NLM
Coutinho KR, Canuto S, Zerner MC. Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene [Internet]. Journal of Chemical Physics. 2000 ; 112( 22): 9874-9880.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.481624
Vancouver
Coutinho KR, Canuto S, Zerner MC. Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene [Internet]. Journal of Chemical Physics. 2000 ; 112( 22): 9874-9880.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.481624
Artigo de periodico
Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water (2000)
Coutinho, Kaline Rabelo; Canuto, Sylvio
Source: Journal of Chemical Physics. Unidade: IF
Assunto: FÍSICO-QUÍMICA
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ABNT
COUTINHO, Kaline Rabelo e CANUTO, Sylvio. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water. Journal of Chemical Physics, v. 1113, n. 20, p. 9132-9139, 2000Tradução . . Disponível em: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips. Acesso em: 10 ago. 2024.
APA
Coutinho, K. R., & Canuto, S. (2000). Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water. Journal of Chemical Physics, 1113( 20), 9132-9139. Recuperado de http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
NLM
Coutinho KR, Canuto S. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water [Internet]. Journal of Chemical Physics. 2000 ; 1113( 20): 9132-9139.[citado 2024 ago. 10 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
Vancouver
Coutinho KR, Canuto S. Solvent effects in emission spectroscopy: a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in water [Internet]. Journal of Chemical Physics. 2000 ; 1113( 20): 9132-9139.[citado 2024 ago. 10 ] Available from: http://ojps.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000113000020009132000001&idtype=cvips
Artigo de periodico
Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers (1990)
Galvao, D S; Caldas, Marília Junqueira
Source: Journal of Chemical Physics. Unidade: IF
Assunto: MATÉRIA CONDENSADA
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ABNT
GALVAO, D S e CALDAS, Marília Junqueira. Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers. Journal of Chemical Physics, v. 92, n. 4 , p. 2630-6, 1990Tradução . . Disponível em: https://doi.org/10.1063/1.457957. Acesso em: 10 ago. 2024.
APA
Galvao, D. S., & Caldas, M. J. (1990). Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers. Journal of Chemical Physics, 92( 4 ), 2630-6. doi:10.1063/1.457957
NLM
Galvao DS, Caldas MJ. Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers [Internet]. Journal of Chemical Physics. 1990 ;92( 4 ): 2630-6.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.457957
Vancouver
Galvao DS, Caldas MJ. Theoretical investigation of model polymers for eumelanins. I. Finite and infinite polymers [Internet]. Journal of Chemical Physics. 1990 ;92( 4 ): 2630-6.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.457957
Artigo de periodico
Polymerization of 5,6-indolequinone: a view into the band structure of melanins (1988)
Galvao, D S; Caldas, Marília Junqueira
Source: Journal of Chemical Physics. Unidade: IF
Assunto: FÍSICA DA MATÉRIA CONDENSADA
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ABNT
GALVAO, D S e CALDAS, Marília Junqueira. Polymerization of 5,6-indolequinone: a view into the band structure of melanins. Journal of Chemical Physics, v. 88, n. 6 , p. 4088-91, 1988Tradução . . Disponível em: https://doi.org/10.1063/1.453810. Acesso em: 10 ago. 2024.
APA
Galvao, D. S., & Caldas, M. J. (1988). Polymerization of 5,6-indolequinone: a view into the band structure of melanins. Journal of Chemical Physics, 88( 6 ), 4088-91. doi:10.1063/1.453810
NLM
Galvao DS, Caldas MJ. Polymerization of 5,6-indolequinone: a view into the band structure of melanins [Internet]. Journal of Chemical Physics. 1988 ;88( 6 ): 4088-91.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.453810
Vancouver
Galvao DS, Caldas MJ. Polymerization of 5,6-indolequinone: a view into the band structure of melanins [Internet]. Journal of Chemical Physics. 1988 ;88( 6 ): 4088-91.[citado 2024 ago. 10 ] Available from: https://doi.org/10.1063/1.453810

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