Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Rui C Santos"'
Autor:
Rui C. Santos
Publikováno v:
Química Nova, Vol 33, Iss 1, Pp 220-224 (2010)
The energies involved in the combustion, under atmosphere of oxygen, of breakfast cereals and dehydrate powdered whole milk samples, were determined by combustion calorimetry. This practical work, in the field of human nutrition, involved the charact
Externí odkaz:
https://doaj.org/article/84b81896297c4a0e8f86c02bea6f8b26
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
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
Autor:
Rui M. Borges dos Santos, Rui C. Santos, Elsa M. Gonçalves, Filipe Agapito, José A. Martinho Simões
Publikováno v:
The Journal of Chemical Thermodynamics. 61:83-89
The C–H bond dissociation enthalpies (BDEs) of molecules related to naphthalene radical chemistry were investigated using quantum chemistry calculations (CBS-QB3 and CCSD(T ∗ )-F12), and the C–H BDE in 1,2-dihydronaphthalene was determined usin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca2554391a4e90c87c97e93bb7ae6516
https://doi.org/10.1016/j.jct.2013.01.028
https://doi.org/10.1016/j.jct.2013.01.028
Publikováno v:
The Journal of Physical Chemistry A. 117:2873-2878
The gas-phase enthalpies of formation for a set of ortho-substituted alkylbenzenes were obtained from CCSD(T*)-F12 and W1-F12 calculations. Most values are in keeping with available experimental data. The gas-phase enthalpies of formation of 1-ethyl-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10e127674c533894073b5688a66fc06e
https://doi.org/10.1021/jp400475q
https://doi.org/10.1021/jp400475q
Publikováno v:
The Journal of Chemical Thermodynamics. 41:1356-1373
A revised parameterization of the extended Laidler method for predicting standard molar enthalpies of atomization and standard molar enthalpies of formation at T = 298.15 K for several families of hydrocarbons (alkanes, alkenes, alkynes, polyenes, po
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c6d7fc68061fdf3938ba9e12b1656aa
https://doi.org/10.1016/j.jct.2009.06.013
https://doi.org/10.1016/j.jct.2009.06.013
Publikováno v:
The Journal of Chemical Thermodynamics. 31:1417-1427
The application of a micro rotating-bomb combustion calorimeter to chlorine-containing organic compounds was tested by determining the standard massic energy of combustion and the standard molar enthalpy of formation of 4-chlorobenzoic acid at 298.15
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ddffc73b8c9829d1669d56199319369
https://doi.org/10.1006/jcht.1999.0493
https://doi.org/10.1006/jcht.1999.0493
Publikováno v:
Thermochimica Acta. :51-60
The accuracy and precision of a Setaram DSC 121 for the measurement of heat capacities of solids in the continuous mode was tested using sapphire and benzoic acid. The influence of the heating rate, mass of sample, and position of the crucible in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e98426d2de122a35b8c5a0388f67f844
https://doi.org/10.1016/0040-6031(95)02706-8
https://doi.org/10.1016/0040-6031(95)02706-8
Publikováno v:
Thermochimica Acta. 249:113-120
A differential ebulliometric apparatus of the Swietoslawski type requiring ca. 10 cm 3 of sample is described. The application of this apparatus to the determination of enthalpies of vaporization was tested with cyclohexane and ethanol. The values ob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49784ad1496576b7a16c32b5dd6d4dcb
https://doi.org/10.1016/0040-6031(95)90678-9
https://doi.org/10.1016/0040-6031(95)90678-9
Autor:
Rita B. Figueira, Hermínio P. Diogo, M. Fátima M. Piedade, Manuel E. Minas da Piedade, Rui C. Santos
Publikováno v:
The journal of physical chemistry. B. 113(43)
The relationship between energetics and structure in 2-, 4-, 5-, and 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids (2HNA, 4HNA, 5HNA, 6HNA, and 5Cl6HNA, respectively) was investigated in the solid and gaseous phases by means of a variety o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e73adb2ee6630015119f38d0771e4dbc
https://pubmed.ncbi.nlm.nih.gov/19785458
https://pubmed.ncbi.nlm.nih.gov/19785458