Zobrazeno 1 - 10
of 13
pro vyhledávání: '"TAUTOMERISMO"'
Autor:
Brás, Elisa Cristina Marçalo
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3056::eff932897751937242a323604f5041ab
Autor:
Dacio Adhemar Iglesias, Danila Luján Ruiz, Agustín Spaltro, Patricia E. Allegretti, Maricel Caputo
The mass spectra of enaminones can provide valuable information with regards to tautomeric equilibria in the gas phase. Mass spectra of selected enaminones have been analyzed and specific fragmentation assignments have been done to characterized and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4211b26700570bbf2d1b40bc1a09756
https://www.sciencedirect.com/science/article/pii/S1387380614005223
https://www.sciencedirect.com/science/article/pii/S1387380614005223
Autor:
Silva, Edvonaldo Florêncio e
Publikováno v:
Repositório Institucional da UFSUniversidade Federal de SergipeUFS.
The doxorubicin (DOX) assumes a prominent position among the drugs widely applied in treatment human cancer. This chemotherapeutic presents efficiency in the regression of various neoplasms, although adverse reactions may occur. As a result several s
Externí odkaz:
https://ri.ufs.br/handle/riufs/6100
Autor:
Florêncio e Silva, Edvonaldo
Publikováno v:
Repositório Institucional da UFS
Universidade Federal de Sergipe (UFS)
instacron:UFS
Universidade Federal de Sergipe (UFS)
instacron:UFS
The doxorubicin (DOX) assumes a prominent position among the drugs widely applied in treatment human cancer. This chemotherapeutic presents efficiency in the regression of various neoplasms, although adverse reactions may occur. As a result several s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::5a85c842b05106ad862c8ef9a734e22f
https://ri.ufs.br/handle/riufs/6100
https://ri.ufs.br/handle/riufs/6100
Publikováno v:
110 (2006): 14013–14017.
info:cnr-pdr/source/autori:Cucinotta, CS; Ruini, A; Catellani, A; Stirling, A/titolo:Ab initio exploration of rearrangement reactions: intramolecular hydrogen scrambling processes in acetone/doi:/rivista:/anno:2006/pagina_da:14013/pagina_a:14017/intervallo_pagine:14013–14017/volume:110
info:cnr-pdr/source/autori:Cucinotta, CS; Ruini, A; Catellani, A; Stirling, A/titolo:Ab initio exploration of rearrangement reactions: intramolecular hydrogen scrambling processes in acetone/doi:/rivista:/anno:2006/pagina_da:14013/pagina_a:14017/intervallo_pagine:14013–14017/volume:110
The recently developed metadynamics method is applied to the intramolecular hydrogen migration reactions of acetone in the gas phase. Comparison of different sets of collective coordinates allows efficient description of the underlying free energy su
Autor:
Rocha, Valéria Alves
Publikováno v:
Repositório Institucional da UFBAUniversidade Federal da BahiaUFBA.
Submitted by Edileide Reis (leyde-landy@hotmail.com) on 2013-04-23T14:14:08Z No. of bitstreams: 1 Valeria Rocha.pdf: 3157080 bytes, checksum: 5aeb84b9943c3f42e20393e8ad4cdcee (MD5)
Made available in DSpace on 2013-04-23T14:14:08Z (GMT). No. of b
Made available in DSpace on 2013-04-23T14:14:08Z (GMT). No. of b
Externí odkaz:
http://www.repositorio.ufba.br/ri/handle/ri/10018
Publikováno v:
ChemPhysChem
7 (2006): 1229–1234. doi:10.1002/cphc.200600007
info:cnr-pdr/source/autori:Cucinotta C.S. a,b; Ruini A. a,b; Catellani A. a,c; Stirling A. d/titolo:Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solution/doi:10.1002%2Fcphc.200600007/rivista:ChemPhysChem (Print)/anno:2006/pagina_da:1229/pagina_a:1234/intervallo_pagine:1229–1234/volume:7
7 (2006): 1229–1234. doi:10.1002/cphc.200600007
info:cnr-pdr/source/autori:Cucinotta C.S. a,b; Ruini A. a,b; Catellani A. a,c; Stirling A. d/titolo:Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solution/doi:10.1002%2Fcphc.200600007/rivista:ChemPhysChem (Print)/anno:2006/pagina_da:1229/pagina_a:1234/intervallo_pagine:1229–1234/volume:7
We have studied the keto-enol interconversion of acetone to understand the mechanism of tautomerism relevant to numerous organic and biochemical processes. Applying the ab initio metadynamics method, we simulated the keto-enol isomerism both in the g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ecd76170cbefb203972190e9a5ee4eb
https://publications.cnr.it/doc/166865
https://publications.cnr.it/doc/166865
Autor:
Rocha, Valéria Alves
Publikováno v:
Repositório Institucional da UFBA
Universidade Federal da Bahia (UFBA)
instacron:UFBA
Universidade Federal da Bahia (UFBA)
instacron:UFBA
Submitted by Edileide Reis (leyde-landy@hotmail.com) on 2013-04-23T14:14:08Z No. of bitstreams: 1 Valeria Rocha.pdf: 3157080 bytes, checksum: 5aeb84b9943c3f42e20393e8ad4cdcee (MD5) Made available in DSpace on 2013-04-23T14:14:08Z (GMT). No. of bitstr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______3056::577ddfb67c4123a4ff01d7b20e262142
http://www.repositorio.ufba.br/ri/handle/ri/10018
http://www.repositorio.ufba.br/ri/handle/ri/10018
Publikováno v:
Boletín de la Sociedad Chilena de Química v.46 n.4 2001
SciELO Chile
CONICYT Chile
instacron:CONICYT
Boletín de la Sociedad Chilena de Química, Volume: 46, Issue: 4, Pages: 471-480, Published: DEC 2001
SciELO Chile
CONICYT Chile
instacron:CONICYT
Boletín de la Sociedad Chilena de Química, Volume: 46, Issue: 4, Pages: 471-480, Published: DEC 2001
Thermodynamic parameters for the benzene oxide oxepin system have been calculated at MP4(SDQ)/6-31+G**//HF/6-31G** level of theory. The calculated enthalpy for this valence tautomeric equilibrium differs from that reported by Vogel et al in 1967, but
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::fa5d34ed94cf835f4078e1b80fb84f35
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000400011
http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000400011
Publikováno v:
Boletín de la Sociedad Chilena de Química, Volume: 45, Issue: 1, Pages: 85-89, Published: MAR 2000
Boletín de la Sociedad Chilena de Química v.45 n.1 2000
SciELO Chile
CONICYT Chile
instacron:CONICYT
Boletín de la Sociedad Chilena de Química v.45 n.1 2000
SciELO Chile
CONICYT Chile
instacron:CONICYT
The prototropic tautomerism of 3-methyl-5-pyrazolone was studied byusing Density Functional Theory along with 1H, 13Cand 15N-NMR. The results show that for the isolated moleculeand low polarity solvent the 5PYR-1 tautomer, a keto form, is the predomi