Artigo em revista |
- Ana L.R. Silva; Ana C. M. O. Lima; M. Agostinha R. Matos; Victor M.F. Morais. "Thermochemical study of the antioxidant activity
of some hydroxycoumarins". The Journal of Chemical Thermodynamics (2023): http://dx.doi.org/10.1016/j.jct.2023.107006.
10.1016/j.jct.2023.107006
- Ana L.R. Silva; Paula C.F.C. Oliveira; Jorge M. Gonçalves; Victor M.F. Morais; Maria D.M.C. Ribeiro da Silva. "Metal–ligand
binding energies in copper (II) and nickel (II) complexes with tetradentate N2O2 Schiff base ligands". Inorganica Chimica
Acta (2022): https://doi.org/10.1016/j.ica.2022.120845.
10.1016/j.ica.2022.120845
- Ana L.R. Silva; Jorge M. Gonçalves; Victor M.F. Morais; Maria D.M.C. Ribeiro da Silva. "Thermodynamic properties of 2-mercapto-,
2,5-dimethyl- and 2-mercapto-5-methyl-1,3,4-thiadiazole". The Journal of Chemical Thermodynamics (2022): http://dx.doi.org/10.1016/j.jct.2021.106644.
10.1016/j.jct.2021.106644
- Ana L.R. Silva; Jorge M. Gonçalves; Victor M.F. Morais; Maria D.M.C. Ribeiro da Silva. "Energetics of tetradentate N2O2 schiff
bases containing different alkyldiimine brigdes". Thermochimica Acta (2021): http://dx.doi.org/10.1016/j.tca.2020.178817.
10.1016/j.tca.2020.178817
- Silva, A.L.R.; Matos, M.A.R.; Morais, V.M.F.; Ribeiro da Silva, M.D.M.C.. "Thermochemical and conformational study of optical
active phenylbenzazole derivatives". Journal of Chemical Thermodynamics 116 (2018): 7-20. http://www.scopus.com/inward/record.url?eid=2-s2.0-85028436284&partnerID=MN8TOARS.
10.1016/j.jct.2017.08.017
- Clara Sousa; M. Agostinha R. Matos; Victor M. F. Morais. "Experimental and Computational Thermochemical Study of Maleic Anhydride
and Vinylene Carbonate". The Journal of Physical Chemistry A 121 49 (2017): 9474-9484. https://doi.org/10.1021/acs.jpca.7b07175.
10.1021/acs.jpca.7b07175
- Carvalho, T.M.T.; Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro da Silva, M.D.M.C.. "Calorimetric and computational studies for
three nitroimidazole isomers". Journal of Chemical Thermodynamics 105 (2017): 267-275. http://www.scopus.com/inward/record.url?eid=2-s2.0-84994030167&partnerID=MN8TOARS.
10.1016/j.jct.2016.10.026
- Carvalho, T.M.T.; Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.. "Energetic Effect of the Carboxylic Acid Functional
Group in Indole Derivatives". Journal of Physical Chemistry A 121 15 (2017): 2980-2989. http://www.scopus.com/inward/record.url?eid=2-s2.0-85020049792&partnerID=MN8TOARS.
10.1021/acs.jpca.7b00275
- Amaral, L.M.P.F.; Szterner, P.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.; Ribeiro Da Silva, M.A.V.. "Experimental and computational
thermochemical studies of 6-azauracil derivatives". Journal of Chemical Thermodynamics 96 (2016): 93-103. http://www.scopus.com/inward/record.url?eid=2-s2.0-84954405957&partnerID=MN8TOARS.
10.1016/j.jct.2015.12.020
- Szterner, P.; Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.; Ribeiro Da Silva, M.A.V.. "Thermochemical study
of dichloromethylpyrimidine isomers". Journal of Chemical Thermodynamics 100 (2016): 148-155. http://www.scopus.com/inward/record.url?eid=2-s2.0-84966708848&partnerID=MN8TOARS.
10.1016/j.jct.2016.04.011
- Carvalho, T.M.T.; Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.. "Thermodynamic properties of alkyl 1H-indole
carboxylate derivatives: A combined experimental and computational study". Journal of Chemical Thermodynamics 97 (2016):
70-82. http://www.scopus.com/inward/record.url?eid=2-s2.0-84957020504&partnerID=MN8TOARS.
10.1016/j.jct.2016.01.006
- Silva, A.L.R.; Morais, V.M.F.; Ribeiro da Silva, M.D.M.C.; Simões, R.G.; Bernardes, C.E.S.; Piedade, M.F.M.; Minas da Piedade,
M.E.. "Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction,
and computational studies". Journal of Chemical Thermodynamics 95 (2016): 35-48. http://www.scopus.com/inward/record.url?eid=2-s2.0-84949545169&partnerID=MN8TOARS.
10.1016/j.jct.2015.11.010
- Alireza Fattahi; Joel F. Liebman; Margarida S. Miranda; Victor M.F. Morais; M. Agostinha R. Matos; Lev Lis; Steven R. Kass.
"Reprint of “Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic
or “merely” nonaromatic?”". International Journal of Mass Spectrometry 378 (2015): 175-179. https://doi.org/10.1016/j.ijms.2014.07.042.
10.1016/j.ijms.2014.07.042
- Carvalho, T.M.T.; Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.. "Experimental and computational energetic
study of 1-R-2-phenylindole (R = H, CH3, C2H5)". Journal of Chemical Thermodynamics
85 (2015): 129-140. http://www.scopus.com/inward/record.url?eid=2-s2.0-84923327745&partnerID=MN8TOARS.
10.1016/j.jct.2015.01.012
- Amaral, L.M.P.F.; Szterner, P.; Morais, V.M.F.; Ribeiro da Silva, M.A.V.. "Thermochemical study of the isomeric compounds:
3-acetylbenzonitrile and benzoylacetonitrile". Journal of Chemical Thermodynamics 91 (2015): 452-458. http://www.scopus.com/inward/record.url?eid=2-s2.0-84941561163&partnerID=MN8TOARS.
10.1016/j.jct.2015.08.008
- Alireza Fattahi; Joel F. Liebman; Margarida S. Miranda; Victor M.F. Morais; M. Agostinha R. Matos; Lev Lis; Steven R. Kass.
"Indenone and cyclopentadienone energetics via mass spectrometry and computations: Are these species antiaromatic or “merely”
nonaromatic?". International Journal of Mass Spectrometry 369 (2014): 87-91. https://doi.org/10.1016/j.ijms.2014.06.011.
10.1016/j.ijms.2014.06.011
- Silva, A.L.R.; Monte, M.J.S.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.. "Thermodynamic study of 2-aminothiazole and 2-aminobenzothiazole:
Experimental and computational approaches". Journal of Chemical Thermodynamics 74 (2014): 66-77. http://www.scopus.com/inward/record.url?eid=2-s2.0-84899803013&partnerID=MN8TOARS.
10.1016/j.jct.2014.04.001
- Almeida, A.R.R.P.; Cunha, A.F.G.; Matos, M.A.R.; Morais, V.M.F.; Monte, M.J.S.. "Thermodynamic properties of the methyl esters
of p-hydroxy and p-methoxy benzoic acids". Journal of Chemical Thermodynamics 78 (2014): 43-57. http://www.scopus.com/inward/record.url?eid=2-s2.0-84904014258&partnerID=MN8TOARS.
10.1016/j.jct.2014.06.002
- Sousa, C.C.S.; Matos, M.A.R.; Santos, L.M.N.B.F.; Morais, V.M.F.. "Reprint of: Energetics of 2- and 3-coumaranone isomers:
A combined calorimetric and computational study". Journal of Chemical Thermodynamics 73 (2014): 283-289. http://www.scopus.com/inward/record.url?eid=2-s2.0-84901192775&partnerID=MN8TOARS.
10.1016/j.jct.2014.03.017
- Silva, A.L.R.; Morais, V.M.F.; Ribeiro Da Silva, M.D.M.C.. "Structural and energetic characterization of the tautomers 2-benzothiazolinone
and 2-hydroxybenzothiazole". Journal of Molecular Structure 1078 (2014): 197-206. http://www.scopus.com/inward/record.url?eid=2-s2.0-84908540223&partnerID=MN8TOARS.
10.1016/j.molstruc.2014.05.043
- Sousa, C.C.S.; Matos, M.A.R.; Morais, V.M.F.. "Energetics and stability of azulene: From experimental thermochemistry to high-level
quantum chemical calculations". Journal of Chemical Thermodynamics 73 (2014): 101-109. http://www.scopus.com/inward/record.url?eid=2-s2.0-84901228940&partnerID=MN8TOARS.
10.1016/j.jct.2013.11.008
- Amaral, L.M.P.F.; Morais, V.M.F.; Ribeiro Da Silva, M.A.V.. "Standard molar enthalpy of formation of methoxyacetophenone isomers".
Journal of Chemical Thermodynamics 74 (2014): 22-31. http://www.scopus.com/inward/record.url?eid=2-s2.0-84899423276&partnerID=MN8TOARS.
10.1016/j.jct.2014.03.027
- Sousa, C.C.S.; Morais, V.M.F.; Matos, M.A.R.. "Experimental and computational thermochemistry of 6,7-dihydro-4(5H)- benzofuranone".
Journal of Chemical Thermodynamics 56 (2013): 83-88. http://www.scopus.com/inward/record.url?eid=2-s2.0-84864826616&partnerID=MN8TOARS.
10.1016/j.jct.2012.07.008
- Almeida, A.R.R.P.; Monte, M.J.S.; Matos, M.A.R.; Morais, V.M.F.. "Experimental and computational thermodynamic study of ortho-
Meta- and para-aminobenzamide". Journal of Chemical Thermodynamics 59 (2013): 222-232. http://www.scopus.com/inward/record.url?eid=2-s2.0-84873323646&partnerID=MN8TOARS.
10.1016/j.jct.2012.12.006
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.. "Structure and energetics correlations in some chlorohydroxypyridines". Journal
of Chemical Thermodynamics 62 (2013): 170-177. http://www.scopus.com/inward/record.url?eid=2-s2.0-84876120675&partnerID=MN8TOARS.
10.1016/j.jct.2013.03.001
- Almeida, A.R.R.P.; Monte, M.J.S.; Matos, M.A.R.; Morais, V.M.F.. "The thermodynamic stability of the three isomers of methoxybenzamide:
An experimental and computational study". Journal of Chemical Thermodynamics (2013): http://www.scopus.com/inward/record.url?eid=2-s2.0-84880869718&partnerID=MN8TOARS.
10.1016/j.jct.2013.06.022
- Carvalho, T.M.T.; Amaral, L.M.P.F.; Ribeiro da Silva, M.D.M.C.; Morais, V.M.F.. "Thermochemical study of the dicyanoimidazole
isomers". Structural Chemistry (2013): 1-9. http://www.scopus.com/inward/record.url?eid=2-s2.0-84883067047&partnerID=MN8TOARS.
10.1007/s11224-013-0334-x
- Sousa, C.C.S.; Matos, M.A.R.; Santos, L.M.N.B.F.; Morais, V.M.F.. "Energetics of 2- and 3-coumaranone isomers: A combined
calorimetric and computational study Dedicated to the late Professor Manuel Ribeiro de Silva.". Journal of Chemical Thermodynamics
67 (2013): 210-216. http://www.scopus.com/inward/record.url?eid=2-s2.0-84884576545&partnerID=MN8TOARS.
10.1016/j.jct.2013.08.012
- Almeida, A.R.R.P.; Matos, M.A.R.; Monte, M.J.S.; Morais, V.M.F.. "Experimental and computational thermodynamic study of ortho-,
meta-, and para-methylbenzamide". Journal of Chemical Thermodynamics 47 (2012): 81-89. http://www.scopus.com/inward/record.url?eid=2-s2.0-84855645109&partnerID=MN8TOARS.
10.1016/j.jct.2011.09.024
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "2,1,3-Benzothiadiazole: Study of its structure, energetics and
aromaticity". Journal of Chemical Thermodynamics 50 (2012): 30-36. http://www.scopus.com/inward/record.url?eid=2-s2.0-84857735171&partnerID=MN8TOARS.
10.1016/j.jct.2012.02.005
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Paradigms and paradoxes: En route to the understanding of the
aromaticity of the "iso-species" isobenzofuran, anthranil, benzofurazan and 2,1,3-benzothiadiazole". Structural Chemistry
23 4 (2012): 1241-1243. http://www.scopus.com/inward/record.url?eid=2-s2.0-84867232628&partnerID=MN8TOARS.
10.1007/s11224-012-9975-4
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Study of energetics and structure of 1,2,3-benzotriazin-4(3H)-one
and its 1H and Enol tautomers". Journal of Physical Chemistry B 115 20 (2011): 6616-6622. http://www.scopus.com/inward/record.url?eid=2-s2.0-79958106481&partnerID=MN8TOARS.
10.1021/jp2011149
- Sousa, C.C.S.; Matos, M.A.R.; Morais, V.M.F.. "When theory and experiment hold hands: The thermochemistry of ¿-pyrone derivatives".
Journal of Chemical Thermodynamics 43 8 (2011): 1159-1163. http://www.scopus.com/inward/record.url?eid=2-s2.0-79955621121&partnerID=MN8TOARS.
10.1016/j.jct.2011.02.021
- Sousa, C.C.S.; Matos, M.A.R.; Morais, V.M.F.. "Calorimetric and computational study of 7-hydroxycoumarin". Journal of Chemical
Thermodynamics 43 10 (2011): 1435-1440. http://www.scopus.com/inward/record.url?eid=2-s2.0-80955178921&partnerID=MN8TOARS.
10.1016/j.jct.2011.04.015
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Paradigms and paradoxes: The aromaticity of 6:6 fused carbocycles
and heterocycles as an extension of a study of indane and indene derivatives". Structural Chemistry 22 6 (2011): 1221-1224.
http://www.scopus.com/inward/record.url?eid=2-s2.0-84856630677&partnerID=MN8TOARS.
10.1007/s11224-011-9812-1
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Energetics of quinazoline-2,4(1 H,3 H)-dione: An experimental
and computational study". Journal of Chemical and Engineering Data 56 12 (2011): 4516-4523. http://www.scopus.com/inward/record.url?eid=2-s2.0-83455235945&partnerID=MN8TOARS.
10.1021/je2004929
- Morais, V.M.F.. "Ab initio energetics of nonsubstituted monocyclic pyrones". Journal of Chemical Thermodynamics 43
1 (2011): 9-16. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957322006&partnerID=MN8TOARS.
10.1016/j.jct.2010.07.009
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Experimental and computational study on the energetics of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene
(dibenzosuberane)". Journal of Chemical Thermodynamics 43 3 (2011): 364-370. http://www.scopus.com/inward/record.url?eid=2-s2.0-78650710869&partnerID=MN8TOARS.
10.1016/j.jct.2010.10.009
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Combined experimental and computational study on the energetics
of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one". Journal of Chemical Thermodynamics 43 5 (2011):
635-644. http://www.scopus.com/inward/record.url?eid=2-s2.0-79951954442&partnerID=MN8TOARS.
10.1016/j.jct.2010.11.006
- Morais, V.M.F.; Sousa, C.C.S.; Matos, M.A.R.. "Experimental and computational study of the energetics of methoxycoumarins".
Journal of Molecular Structure: THEOCHEM 946 1-3 (2010): 13-19. http://www.scopus.com/inward/record.url?eid=2-s2.0-77649191652&partnerID=MN8TOARS.
10.1016/j.theochem.2009.11.036
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Thermochemistry of chromone- and coumarin-3-carboxylic acid". Journal of
Thermal Analysis and Calorimetry 100 2 (2010): 519-526. http://www.scopus.com/inward/record.url?eid=2-s2.0-77951255805&partnerID=MN8TOARS.
10.1007/s10973-009-0655-6
- Miranda, M.S.; Matos, M.A.R.; Morais, V.M.F.; Liebman, J.F.. "Experimental and computational thermochemical study of oxindole".
Journal of Chemical Thermodynamics 42 9 (2010): 1101-1106. http://www.scopus.com/inward/record.url?eid=2-s2.0-77955271697&partnerID=MN8TOARS.
10.1016/j.jct.2010.04.006
- Miranda, M.S.; Morais, V.M.F.; Matos, M.A.R.; Liebman, J.F.. "Standard molar enthalpy of formation of 1-benzosuberone: An
experimental and computational study". Journal of Chemical Thermodynamics 42 9 (2010): 1094-1100. http://www.scopus.com/inward/record.url?eid=2-s2.0-77955272539&partnerID=MN8TOARS.
10.1016/j.jct.2010.04.007
- Almeida, A.R.R.P.; Matos, M.A.R.; Morais, V.M.F.; Monte, M.J.S.. "A calorimetric and computational study of aminomethoxybenzoic
acids". Journal of Physical Chemistry B 114 35 (2010): 11570-11575. http://www.scopus.com/inward/record.url?eid=2-s2.0-77956333302&partnerID=MN8TOARS.
10.1021/jp106006a
- Sousa, C.C.S.; Morais, V.M.F.; Matos, M.A.R.. "Energetics of the isomers: 3- and 4-hydroxycoumarin". Journal of Chemical
Thermodynamics 42 11 (2010): 1372-1378. http://www.scopus.com/inward/record.url?eid=2-s2.0-77955419021&partnerID=MN8TOARS.
10.1016/j.jct.2010.06.003
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Thermochemical study of some methoxytetralones". Journal of Chemical Thermodynamics
41 1 (2009): 69-73. http://www.scopus.com/inward/record.url?eid=2-s2.0-56949093961&partnerID=MN8TOARS.
10.1016/j.jct.2008.07.021
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Experimental and computational thermochemistry of the isomers: Chromanone,
3-isochromanone, and dihydrocoumarin". Journal of Chemical Thermodynamics 41 3 (2009): 308-314. http://www.scopus.com/inward/record.url?eid=2-s2.0-58149289869&partnerID=MN8TOARS.
10.1016/j.jct.2008.08.012
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Energetics of hydroxytetralones: A calorimetric and computational thermochemical
study". Journal of Chemical and Engineering Data 54 8 (2009): 2189-2194. http://www.scopus.com/inward/record.url?eid=2-s2.0-69049120631&partnerID=MN8TOARS.
10.1021/je8004408
- Matos, M.A.R.; Sousa, C.C.S.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Energetics of coumarin and chromone". Journal
of Physical Chemistry B 113 32 (2009): 11216-11221. http://www.scopus.com/inward/record.url?eid=2-s2.0-68549136668&partnerID=MN8TOARS.
10.1021/jp9026942
- Sousa, C.C.S.; Matos, M.A.R.; Morais, V.M.F.. "Energetics of flavone and flavanone". Journal of Chemical Thermodynamics
41 12 (2009): 1408-1412. http://www.scopus.com/inward/record.url?eid=2-s2.0-69449108737&partnerID=MN8TOARS.
10.1016/j.jct.2009.06.022
- Matos, M.A.R.; Miranda, M.S.; Fonseca, D.A.P.; Morais, V.M.F.; Liebman, J.F.. "Calorimetric and computational thermochemical
study of 3,3- tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide". Journal
of Physical Chemistry A 112 40 (2008): 10053-10058. http://www.scopus.com/inward/record.url?eid=2-s2.0-54849428641&partnerID=MN8TOARS.
10.1021/jp805292x
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Experimental and theoretical thermochemistry of ß-tetralone". Journal of
Chemical Thermodynamics 40 11 (2008): 1552-1557. http://www.scopus.com/inward/record.url?eid=2-s2.0-53449086789&partnerID=MN8TOARS.
10.1016/j.jct.2008.06.019
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.. "3,4,5-Trimethoxyphenol: A combined experimental and theoretical thermochemical
investigation of its antioxidant capacity". Journal of Chemical Thermodynamics 40 4 (2008): 625-631. http://www.scopus.com/inward/record.url?eid=2-s2.0-40949092312&partnerID=MN8TOARS.
10.1016/j.jct.2007.11.006
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Experimental and computational thermochemistry of 1,4-benzodioxan and its 6-R
derivatives". Journal of Physical Chemistry A 112 34 (2008): 7961-7968. http://www.scopus.com/inward/record.url?eid=2-s2.0-51849128864&partnerID=MN8TOARS.
10.1021/jp803579y
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Experimental and computational thermochemistry of 1,4-benzodioxan and its 2-R
derivatives". Journal of Chemical Thermodynamics 40 10 (2008): 1485-1489. http://www.scopus.com/inward/record.url?eid=2-s2.0-50849091935&partnerID=MN8TOARS.
10.1016/j.jct.2008.06.003
- Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.. "Thermochemical parameters of the chloronitrophenol isomers: A combined experimental
and theoretical investigation". Journal of Chemical and Engineering Data 52 2 (2007): 627-634. http://www.scopus.com/inward/record.url?eid=2-s2.0-33947609330&partnerID=MN8TOARS.
10.1021/je6005218
- Matos, M.A.R.; Sousa, C.C.S.; Morais, V.M.F.. "Experimental and computational thermochemistry of 1,3-benzodioxole derivatives".
Journal of Chemical and Engineering Data 52 3 (2007): 1089-1094. http://www.scopus.com/inward/record.url?eid=2-s2.0-34249792936&partnerID=MN8TOARS.
10.1021/je700035m
- Matos, M.A.R.; Morais, V.M.F.; Sousa, C.C.S.; Roux, M.V.; Notario, R.; Liebman, J.F.. "Energetics of naphthalene derivatives,
IV+ : A calorimetric and calculational thermochemical study of the isomeric naphthalenemethanols". Molecular Physics
105 13-14 (2007): 1789-1796. http://www.scopus.com/inward/record.url?eid=2-s2.0-35649026412&partnerID=MN8TOARS.
10.1080/00268970701413891
- Matos, M.A.R.; Miranda, M.S.; Pereira, S.M.M.; Morais, V.M.F.; Liebman, J.F.. "The experimental and calculational thermochemistry
of 1,2,4,5- benzenetetracarboxylic dianhydride: Is this 10 p multiring species aromatic?". Journal of Physical Chemistry
A 111 30 (2007): 7181-7188. http://www.scopus.com/inward/record.url?eid=2-s2.0-34548255380&partnerID=MN8TOARS.
10.1021/jp071625n
- Matos, M.A.R.; Miranda, M.S.; Monte, M.J.S.; Santos, L.M.N.B.F.; Morais, V.M.F.; Chickos, J.S.; Umnahanant, P.; Liebman, J.F..
"Calorimetric and computational study of indanones". Journal of Physical Chemistry A 111 43 (2007): 11153-11159. http://www.scopus.com/inward/record.url?eid=2-s2.0-36048985021&partnerID=MN8TOARS.
10.1021/jp074718d
- Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.; Liebman, J.F.. "Experimental and computational thermochemistry of three nitrogen-containing
heterocycles: 2-benzimidazolinone, 2-benzoxazolinone and 3-indazolinone". Molecular Physics 104 3 (2006): 325-334.
http://www.scopus.com/inward/record.url?eid=2-s2.0-31844433739&partnerID=MN8TOARS.
10.1080/00268970500290300
- Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.. "Experimental and computational thermochemistry of the dihydroxypyridine isomers".
Journal of Chemical Thermodynamics 38 4 (2006): 450-454. http://www.scopus.com/inward/record.url?eid=2-s2.0-33645166453&partnerID=MN8TOARS.
10.1016/j.jct.2005.06.013
- Miranda, M.S.; Morais, V.M.F.; Matos, M.A.R.. "Thermochemical study of cyanopyrazines: Experimental and theoretical approaches".
Journal of Chemical Thermodynamics 38 5 (2006): 559-564. http://www.scopus.com/inward/record.url?eid=2-s2.0-33748702477&partnerID=MN8TOARS.
10.1016/j.jct.2005.07.006
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Calorimetric and computational study of 2H-1, 4-benzoxazin-3(4H)-one
and of related species". Molecular Physics 104 12 (2006): 1833-1841. http://www.scopus.com/inward/record.url?eid=2-s2.0-33745037484&partnerID=MN8TOARS.
10.1080/00268970600571302
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Benzanilide: On the crossroads of calorimetry, computations
and concepts". Molecular Physics 104 18 (2006): 2855-2860. http://www.scopus.com/inward/record.url?eid=2-s2.0-33748966260&partnerID=MN8TOARS.
10.1080/00268970600845870
- Matos, M.A.R.; Morais, V.M.F.; Da Silva, M.D.M.C.R.; Marques, M.C.F.; Sousa, E.A.; Castiñeiras, J.P.; Santos, C.P.; Acree
Jr., W.E.. "Thermochemical and theoretical studies of dimethylpyridine-2,6- dicarboxylate and Pyridine-2,3-, pyridine-2,5-,
and pyridine-2,6-dicarboxylic acids". Journal of Chemical and Engineering Data 50 4 (2005): 1184-1191. http://www.scopus.com/inward/record.url?eid=2-s2.0-23144440934&partnerID=MN8TOARS.
10.1021/je049586l
- Matos, M.A.R.; Miranda, M.S.; Pinto, N.A.B.; Morais, V.M.F.; Dhananjaya, N.; Liebman, J.F.. "Thermochemistry of diphenic anhydride.
A combined experimental and theoretical study". Molecular Physics 103 14 (2005): 1885-1894. http://www.scopus.com/inward/record.url?eid=2-s2.0-27844567819&partnerID=MN8TOARS.
10.1080/00268970500096301
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Saccharin: A combined experimental and computational thermochemical
investigation of a sweetener and sulfonamide". Molecular Physics 103 2-3 (2005): 221-228. http://www.scopus.com/inward/record.url?eid=2-s2.0-27744511501&partnerID=MN8TOARS.
10.1080/00268970512331316175
- Fattahi, A.; Kass, S.R.; Liebman, J.F.; Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.. "The enthalpies of formation of o-,
m-, and p-benzoquinone: Gas-phase ion energetics, combustion calorimetry, and quantum chemical computations combined". Journal
of the American Chemical Society 127 16 (2005): 6116-6122. http://www.scopus.com/inward/record.url?eid=2-s2.0-17744379599&partnerID=MN8TOARS.
10.1021/ja042612f
- Matos, M.A.R.; Monte, M.J.S.; Sousa, C.C.S.; Almeida, A.R.R.P.; Morais, V.M.F.. "Thermodynamic study of sesamol, piperonyl
alcohol, piperonylic acid and homopiperonylic acid: A combined experimental and theoretical investigation". Organic and
Biomolecular Chemistry 2 6 (2004): 908-914. http://www.scopus.com/inward/record.url?eid=2-s2.0-1842429947&partnerID=MN8TOARS.
10.1039/b400107a
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.. "Thermochemical study of the cyanophenol isomers". Structural Chemistry
15 2 (2004): 103-116. http://www.scopus.com/inward/record.url?eid=2-s2.0-3543070087&partnerID=MN8TOARS.
10.1023/B:STUC.0000011245.91971.c1
- Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.. "Thermochemical study of chloropyrazines and chloroquinoxalines". Journal
of Chemical Thermodynamics 36 5 (2004): 377-383. http://www.scopus.com/inward/record.url?eid=2-s2.0-2342518069&partnerID=MN8TOARS.
10.1016/j.jct.2004.01.005
- Miranda, M.S.; Morais, V.M.F.; Matos, M.A.R.. "Standard molar enthalpies of formation of the methoxynitrophenol isomers: A
combined experimental and theoretical investigation". Journal of Chemical Thermodynamics 36 5 (2004): 431-436. http://www.scopus.com/inward/record.url?eid=2-s2.0-2342625167&partnerID=MN8TOARS.
10.1016/j.jct.2004.02.006
- Matos, M.A.R.; Miranda, M.S.; Martins, D.V.S.S.; Pinto, N.A.B.; Morais, V.M.F.; Liebman, J.F.. "Thermochemistry of biphenylcarboxylic
and dicarboxylic acids. A combined experimental and theoretical study". Organic and Biomolecular Chemistry 2 9 (2004):
1353-1358. http://www.scopus.com/inward/record.url?eid=2-s2.0-2542481652&partnerID=MN8TOARS.
10.1039/b401605j
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "The energetics of isomeric benzoxazine diones: Isatoic anhydride
revisited". Organic and Biomolecular Chemistry 2 11 (2004): 1647-1650. http://www.scopus.com/inward/record.url?eid=2-s2.0-2942724473&partnerID=MN8TOARS.
10.1039/b402801e
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Aspects of the aromaticity of anthranil". European Journal
of Organic Chemistry 15 (2004): 3340-3345. http://www.scopus.com/inward/record.url?eid=2-s2.0-4544261683&partnerID=MN8TOARS.
10.1002/ejoc.200400158
- Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Acree Jr., W.E.. "Experimental and theoretical study
of the dissociation enthalpy of the N-O bond on 2-hydroxypyridine N-oxide: Theoretical analysis of the energetics of the N-O
bond for hydroxypyrydine N-oxide isomers". Journal of Chemical Thermodynamics 36 2 (2004): 107-113. http://www.scopus.com/inward/record.url?eid=2-s2.0-1042292853&partnerID=MN8TOARS.
10.1016/j.jct.2003.10.001
- Morais, V.M.F.; Matos, M.A.R.; Miranda, M.S.; Liebman, J.F.. "Surprises with strain energy and sulpholane (tetrahydrothiophene
1,1-dioxide): A combined experimental and theoretical investigation". Molecular Physics 102 5 (2004): 525-530. http://www.scopus.com/inward/record.url?eid=2-s2.0-3042739667&partnerID=MN8TOARS.
10.1080/002689710410001671558
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.. "Thermochemical study of the methoxy- and dimethoxyphenol isomers". Journal
of Chemical and Engineering Data 48 3 (2003): 669-679. http://www.scopus.com/inward/record.url?eid=2-s2.0-0038699072&partnerID=MN8TOARS.
10.1021/je025641j
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.; Liebman, J.F.. "Thermochemistry of (E)- and (Z)-disubstituted alkene species:
A combined experimental and theoretical investigation of isomeric dimethyl fumarate and dimethyl maleate". Organic and
Biomolecular Chemistry 1 16 (2003): 2930-2934. http://www.scopus.com/inward/record.url?eid=2-s2.0-0041818281&partnerID=MN8TOARS.
10.1039/b303276k
- Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.. "Thermochemical study of the ethylpyridine and ethylpyrazine isomers". Organic
and Biomolecular Chemistry 1 23 (2003): 4329-4334. http://www.scopus.com/inward/record.url?eid=2-s2.0-0348041596&partnerID=MN8TOARS.
10.1039/b308097h
- Ribeiro da Silva, M.A.V.; Matos, M.A.R.; Rio, C.A.; Morais, V.M.F.; Wang, J.; Nichols, G.; Chickos, J.S.. "A thermochemical
and theoretical study of the phenylpyridine isomers". Journal of Physical Chemistry A 104 8 (2000): 1774-1778. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001228258&partnerID=MN8TOARS.
- Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F.. "Calorimetric and theoretical determination of standard enthalpies of formation
of dimethoxy- and trimethoxybenzene isomers". Journal of Physical Chemistry A 104 40 (2000): 9260-9265. http://www.scopus.com/inward/record.url?eid=2-s2.0-0034300221&partnerID=MN8TOARS.
- Ribeiro Da Suva, M.A.V.; Matos, M.A.R.; Rio, C.M.A.; Miranda, M.S.; Morais, V.M.F.. "Thermochemical and theoretical studies
of 2-hydroxyquinoxaline, 2,3-dihydroxyquinoxaline, and 2-hydroxy-3-methylquinoxaline". Journal of Physical Chemistry A
104 28 (2000): 6644-6648. http://www.scopus.com/inward/record.url?eid=2-s2.0-0343878052&partnerID=MN8TOARS.
- Ribeiro Da Silva, M.A.V.; Matos, M.A.R.; Morais, V.M.F.; Miranda, M.S.. "Thermochemical and theoretical study of tert-butyl
and di-tert- butylphenol isomers". Journal of Organic Chemistry 64 24 (1999): 8816-8820. http://www.scopus.com/inward/record.url?eid=2-s2.0-0033607761&partnerID=MN8TOARS.
10.1021/jo990801o
- Acree Jr., W.E.; Powell, J.R.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Gonçalves, J.M.; Santos, L.M.N.B.F.;
Morais, V.M.F.; Pilcher, G.. "Thermochemical and Theoretical Study of Some Quinoxaline 1,4-Dioxides and of Pyrazine 1,4-Dioxide".
Journal of Organic Chemistry 62 11 (1997): 3722-3726. http://www.scopus.com/inward/record.url?eid=2-s2.0-0006410729&partnerID=MN8TOARS.
- Acree W.E., Jr.; Powell, J.R.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Goncalves, J.M.; Santos, L.M.N.B.F.;
Morais, V.M.F.; Pilcher, G.. "Erratum: Thermochemical and theoretical study of some quinoxaline 1,4- dioxides and of pyrazine
1,4-dioxide (Journal of Organic Chemistry (1997) 62 (3724))". Journal of Organic Chemistry 62 25 (1997): http://www.scopus.com/inward/record.url?eid=2-s2.0-0031454445&partnerID=MN8TOARS.
- Ribeiro Da Suva, M.A.V.; Morais, V.M.F.; Matos, M.A.R.; Rio, C.M.A.; Piedade, C.M.G.S.. "Thermochemical and theoretical study
of some methyldiazines". Structural Chemistry 7 5-6 (1996): 329-336. http://www.scopus.com/inward/record.url?eid=2-s2.0-0040852111&partnerID=MN8TOARS.
- Morais, V.M.F.; Varandas, A.J.C.. "Quasiclassical trajectory study of the Li + Cs2 reaction". Molecular Physics
84 5 (1995): 957-969. http://www.scopus.com/inward/record.url?eid=2-s2.0-0000381927&partnerID=MN8TOARS.
10.1080/00268979500100661
- Ribeiro Da Silva, M.A.V.; Matos, M.A.R.; Morais, V.M.F.. "Thermochemical and theoretical studies of some benzodiazines". Journal
of the Chemical Society, Faraday Transactions 91 13 (1995): 1907-1910. http://www.scopus.com/inward/record.url?eid=2-s2.0-2642657791&partnerID=MN8TOARS.
10.1039/FT9959101907
- Ribeiro Da Silva, M.A.V.; Morais, V.M.F.; Matos, M.A.R.; Rio, C.M.A.. "Thermochemical and theoretical studies of some bipyridines".
The Journal of Organic Chemistry 60 16 (1995): 5291-5294. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001276981&partnerID=MN8TOARS.
10.1021/jo00121a056
- Morais, V.M.F.; Varandas, A.J.C.. "Exponentiating trajectories on a realistic potential energy surface for Na3". Journal
of Physical Chemistry 96 14 (1992): 5704-5709. http://www.scopus.com/inward/record.url?eid=2-s2.0-0040076045&partnerID=MN8TOARS.
- Morais, V.M.F.; Varandas, A.J.C.. "Dynamics of the Li + Li2 ¿ Li2 + Li isoergic exchange reaction. A comparative study on
two potential-energy surfaces". Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
85 1 (1989): 1-10. http://www.scopus.com/inward/record.url?eid=2-s2.0-0009560808&partnerID=MN8TOARS.
10.1039/F29898500001
- Morais, V.M.F.; Varandas, A.J.C.. "Are the reactions Li + Na2 and Na + K2 direct or indirect? A dynamics study of semiempirical
valence-bond potential-energy surfaces". Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical
Physics 83 12 (1987): 2247-2260. http://www.scopus.com/inward/record.url?eid=2-s2.0-0009566963&partnerID=MN8TOARS.
10.1039/F29878302247
- Varandas, A.J.C.; Morais, V.M.F.; Pais, A.A.C.C.. "Semiempirical valence bond potential energy surfaces for the alkali trimers
II. The M’M2 systems". Molecular Physics 58 2 (1986): 285-297. http://www.scopus.com/inward/record.url?eid=2-s2.0-84913488393&partnerID=MN8TOARS.
10.1080/00268978600101151
- Morais, V.M.F.; Varandas, A.J.C.. "On the third virial coefficient for the alkali metal vapours". Chemical Physics Letters
113 2 (1985): 192-196. http://www.scopus.com/inward/record.url?eid=2-s2.0-46549104029&partnerID=MN8TOARS.
10.1016/0009-2614(85)80940-4
- Varandas, A.J.C.; Morais, V.M.F.. "Semi-empirical valence bond potential energy surfaces for homonuclear alkali trimers".
Molecular Physics 47 5 (1982): 1241-1251. http://www.scopus.com/inward/record.url?eid=2-s2.0-0013604791&partnerID=MN8TOARS.
10.1080/00268978200100932
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