Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Filipe Agapito"'
Autor:
Joshua Elias Samuel James Reid, Filomena Martins, Seishi Shimizu, Adam J. Walker, Manuel E. Minas da Piedade, Filipe Agapito, Carlos E. S. Bernardes
Publikováno v:
Physical Chemistry Chemical Physics. 19:19928-19936
How does cation functionality influence the strength of intermolecular interactions in protic ionic liquids (PILs)? Quantifying the energetics of PILs can be an invaluable tool to answer this fundamental question. With this in view, we have determine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a94e22f98c0c95d0a3e60638dfa3f44b
https://doi.org/10.1039/c7cp02230a
https://doi.org/10.1039/c7cp02230a
Publikováno v:
The Journal of Chemical Thermodynamics. 104:281-287
The thermochemistry of 4-HOC 6 H 4 COR (R = H, CH 3 , C 2 H 5 , n -C 3 H 7 , n -C 4 H 9 , n -C 5 H 11 , and n -C 6 H 13 ) compounds was investigated using enthalpy of vaporization/sublimation measurements by Calvet-drop microcalorimetry and W1-F12 an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b3d16f8ebb067c119095291be21fde3
https://doi.org/10.1016/j.jct.2016.09.026
https://doi.org/10.1016/j.jct.2016.09.026
Autor:
Andrey A. Pimerzin, Vladimir N. Emel’yanenko, Mikhail A. Varfolomeev, Filipe Agapito, Ksenia V. Zaitseva, Sergey P. Verevkin
Publikováno v:
The Journal of Chemical Thermodynamics. 91:186-193
The gas-phase enthalpies of formation of 2-, 3-, and 4-methylbenzonitrile at T = 298.15 K were studied by combustion calorimetry, and their vaporization enthalpies were determined using the transpiration method. The composite ab initio methods W1-F12
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b34442b52039235795e2ed5ccc2c6b27
https://doi.org/10.1016/j.jct.2015.07.025
https://doi.org/10.1016/j.jct.2015.07.025
Autor:
Vladimir N. Emel’yanenko, Ksenia V. Zaitseva, José A. Martinho Simões, Filipe Agapito, Sergey P. Verevkin
Publikováno v:
The Journal of Chemical Thermodynamics. 85:155-162
Accurate standard molar enthalpy of formation values in the liquid phase can be obtained by combining high-level quantum chemistry values of gas-phase enthalpies of formation with experimentally determined enthalpies of vaporisation. The procedure is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f11938ab9f972d402083be342b1c4040
https://doi.org/10.1016/j.jct.2015.02.001
https://doi.org/10.1016/j.jct.2015.02.001
Publikováno v:
The Journal of Physical Chemistry A. 119:2998-3007
The gas-phase enthalpy of formation of cubane (603.4 ± 4 kJ mol(-1)) was calculated using an explicitly correlated composite method (W1-F12). The result obtained for cubane, together with the experimental value for the enthalpy of sublimation, 54.8
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dc437049360aa906434fcacef3adce4
https://doi.org/10.1021/jp511756v
https://doi.org/10.1021/jp511756v
Publikováno v:
The Journal of Chemical Thermodynamics. 80:59-64
The standard molar enthalpies of vaporization, Δ vap H m o , of 1-ethyl, 1-butyl, and 1-octylimidazole, at T = 298.15 K, were measured by Calvet-drop microcalorimetry. The values determined, together with results of high-level ab initio calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91174f7cf797fef297592bb68d291856
https://doi.org/10.1016/j.jct.2014.08.020
https://doi.org/10.1016/j.jct.2014.08.020
Autor:
Joshua Elias Samuel James Reid, Filomena Martins, Filipe Agapito, Seishi Shimizu, Adam J. Walker, Manuel E. Minas da Piedade, Carlos E. S. Bernardes
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(41)
The ionic nature of a functionalized protic ionic liquid cannot be rationalized simply through the differences in aqueous proton dissociation constants between the acid precursor and the conjugate acid of the base precursor. The extent of proton tran
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40790c6c24d89d8cd6c8c04740d9cd63
https://pubmed.ncbi.nlm.nih.gov/29022017
https://pubmed.ncbi.nlm.nih.gov/29022017
Autor:
Filipe Agapito, Hermínio P. Diogo, João Paulo Leal, Joana Vitorino, M. Fátima M. Piedade, Manuel E. Minas da Piedade, Carlos E. S. Bernardes
Publikováno v:
The Journal of Chemical Thermodynamics. 77:179-189
Considerable efforts have recently been made to investigate how the structure of protic ionic liquids determines some of their most important properties for technological applications (e.g. low vapour pressure, conductivity). In contrast, the assessm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::55814d34344462a29b673d95db232349
https://doi.org/10.1016/j.jct.2014.01.007
https://doi.org/10.1016/j.jct.2014.01.007
Publikováno v:
The Journal of Chemical Thermodynamics. 73:90-96
Accurate values of standard molar enthalpies of formation in condensed phases can be obtained by combining high-level quantum chemistry calculations of gas-phase enthalpies of formation with experimentally determined enthalpies of sublimation or vapo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ad4fdd86ed9c623aa2122a0c737d307
https://doi.org/10.1016/j.jct.2013.10.032
https://doi.org/10.1016/j.jct.2013.10.032
Autor:
Rui C. Santos, Tânia Santos de Almeida, José A. Martinho Simões, Filipe Agapito, Rui M. Borges dos Santos
Publikováno v:
Structural Chemistry. 24:2017-2026
A revised parameterization of the extended Laidler bond additivity method and quantum chemistry calculations were independently used to assess the standard molar enthalpies of formation of 20 non-polycyclic hydrocarbons in the gas phase. The detected
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d1d422454e98a09a7c76d7f67e2117d7
https://doi.org/10.1007/s11224-013-0294-1
https://doi.org/10.1007/s11224-013-0294-1