Zobrazeno 1 - 10 of 82 pro vyhledávání: '"hyperconjugative interactions"'
1
Akademický článek
Efeito das interações hiperconjugativas na constante de acoplamento ¹J CH da hexametilenotetramina e do adamantano: estudo teórico e experimental Effects of hyperconjugative interactions on ¹J CH coupling constant for hexamethyl-enetetramine and adamantane: theoretical and experimental study
Autor: Francisco P. dos Santos, Lucas C. Ducati, Cláudio F. Tormena, Roberto Rittner
Publikováno v: Química Nova, Vol 30, Iss 7, Pp 1681-1685 (2007)
The objective of this work was to determine the influence of hyperconjugative interactions on the ¹J CH coupling constant for hexamethylenetetramine (1) and adamantane (2). For this end, theoretical and experimental ¹J CH were obtained and hypercon
Externí odkaz: https://doaj.org/article/7f16d5af1662418e8da3e66756a9ef02
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2
Akademický článek
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3
Akademický článek
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4
Heavy Halogen Atom Effect on (13)C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study
Autor: Cláudio F. Tormena, Rubén H. Contreras, Gernot Frenking, Roberto Rittner, Lucas C. Ducati, Álvaro Cunha Neto
Publikováno v: Journal of chemical theory and computation. 5(9)
As a first step, a qualitative analysis of the spin-orbit operator was performed to predict the kind of organic compounds, where it could be expected that the SO/FC (spin-orbit/Fermi contact) and SO/SD (spin-orbit/spin dipolar) yield unusually small
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a51b546bedb7e8a5ba19bdda4483f58f
https://pubmed.ncbi.nlm.nih.gov/26616608
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5
NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group.3JCH couplings in α-substituted acetamides
Autor: Susimaire Pedersoli, Francisco P. dos Santos, Roberto Rittner, Rubén H. Contreras, Cláudio F. Tormena
Publikováno v: Magnetic Resonance in Chemistry. 46:202-205
In this work 3JCH spin-spin coupling constants (SSCCs) for the cis- and trans-conformers for α-X-acetamides (X = F, Cl, Br and CN) (1-4) were studied in detail since they were found to be notably different for both conformers. These differences are
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ca7cd9c3fa47e61fb5c76c21f9b4cf0
https://doi.org/10.1002/mrc.2158
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6
FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3,5-dimethyl-4-methoxybenzoic acid
Autor: Vikas K. Shukla, Mehmet Karabacak, Onkar Prasad, Leena Sinha, Abdullah M. Asiri, Mehmet Cinar
Extensive spectroscopic investigations along with theoretical quantum chemical studies on 3,5-dimethyl-4-methoxybenzoic acid (DMMBA) have been consummated. The fundamental vibrational transitions were addressed by experimental FT-IR (4000-400 cm -1 )
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e53e0f34510b24cf0be85a9a3a9ef482
https://hdl.handle.net/20.500.12403/786
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7
NMR spin-spin coupling constants and hyperconjugative interactions
Autor: Contreras, Ruben Horacio, Suardíaz, R., Pérez, C., Crespo-Otero, R., San Fabián, J., De La García Vega, J.M.
The potential of NMR spin-spin coupling constants as probes to study fine details of electronic molecular structures is briefly discussed in this work through two different examples. A qualitative analysis of the polarization propagator expression fo
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______3498::bfd20cc169d6f5f99d3c48a17456473f
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8
Qualitative study of substituent effects on NMR (15)N and (17)O chemical shifts
Autor: Tomás Llorente, Enrique E. Pasqualini, Manuel G. Bustamante, Juan I. Melo, Rubén H. Contreras, Gabriel Ignacio Pagola, Cláudio F. Tormena
Publikováno v: The journal of physical chemistry. A. 113(36)
A qualitative approach to analyze the electronic origin of substituent effects on the paramagnetic part of chemical shifts is described and applied to few model systems, where its potentiality can be appreciated. The formulation of this approach is b
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0899e671a69defc8591c752e2990d97
https://pubmed.ncbi.nlm.nih.gov/19685922
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9
Akademický článek
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10
Dissertation/ Thesis
Interações de orbitais e seus efeitos nos acoplamentos 'J SOB.2. J IND H' e 'J SOB.1 J IND CH' em 1, 3, 5-trioxano, 1, 3, 5-tritianos monosubstituidos : um estudo teorico e experimental
Autor: Vilcachagua, Janaina Dantas
Publikováno v: Repositório Institucional da UnicampUniversidade Estadual de CampinasUNICAMP.
Orientador: Roberto Rittner Neto
Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Quimica
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Externí odkaz: http://repositorio.unicamp.br/jspui/handle/REPOSIP/249194
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