-
1
-
-
0035186746
-
Antioxidant activity and phenolic compounds in selected herbs
-
Zheng, W.;Wang, S. Y. Antioxidant Activity and Phenolic Compounds in Selected Herbs. J. Agric. Food Chem. 2001, 49, 5165-5170.
-
(2001)
J. Agric. Food Chem.
, vol.49
, pp. 5165-5170
-
-
Zheng, W.1
Wang, S.Y.2
-
2
-
-
33846194058
-
Antioxidant capacity, phenol, anthocyanin and ascorbic acid contents in raspberries, blackberries, red currants, gooseberries and cornelian cherries
-
Pantelidis, G. E.; Vasilakakis, M.; Manganaris, G. A.; Diamantidis, Gr. Antioxidant Capacity, Phenol, Anthocyanin and Ascorbic acid Contents in Raspberries, Blackberries, Red Currants, Gooseberries and Cornelian Cherries. Food Chem. 2007, 102, 777-783.
-
(2007)
Food Chem.
, vol.102
, pp. 777-783
-
-
Pantelidis, G.E.1
Vasilakakis, M.2
Manganaris, G.A.3
Diamantidis, Gr.4
-
3
-
-
84962429291
-
Antioxidant properties of phenolic compounds: H-atom versus electron transfer mechanism
-
Leopoldini, M.; Marino, T.; Russo, N.; Toscano, M. Antioxidant Properties of Phenolic Compounds: H-Atom versus Electron Transfer Mechanism. J. Phys. Chem. A 2004, 108, 4916-4922.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 4916-4922
-
-
Leopoldini, M.1
Marino, T.2
Russo, N.3
Toscano, M.4
-
4
-
-
0033510610
-
Enthalpies of combustion of 2-iodosobenzoic acid and 4-nitrosophenol: The dissociation enthalpy of the I-O bond
-
Ribeiro da Silva, M. D. M. C.; Matos, M. A. R.; Ferrão, M. L. C. C. H.; Amaral, L. M. P. F.; Miranda, M. S.; Acree, W. E., Jr.; Pilcher, G. Enthalpies of Combustion of 2-Iodosobenzoic Acid and 4-Nitrosophenol: the Dissociation Enthalpy of the I-O Bond. J. Chem. Thermodyn. 1999, 31, 1551-1559.
-
(1999)
J. Chem. Thermodyn.
, vol.31
, pp. 1551-1559
-
-
Da Silva, M.D.M.C.R.1
Matos, M.A.R.2
Ferrão, M.L.C.C.H.3
Amaral, L.M.P.F.4
Miranda, M.S.5
Acree Jr., W.E.6
Pilcher, G.7
-
5
-
-
0033607761
-
Thermochemical and theoretical study of tert-butyl and di-tert-butylphenol isomers
-
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. J. Org. Chem. 1999, 64, 8816-8820.
-
(1999)
J. Org. Chem.
, vol.64
, pp. 8816-8820
-
-
Da Silva, M.A.V.R.1
Matos, M.A.R.2
Morais, V.M.F.3
Miranda, M.S.4
-
6
-
-
0037618688
-
Standard enthalpies of formation of 2, 6-Di-Tert-butyl-4-methylphenol and 3, 5-Di-Tert-butylphenol and their phenoxy radicals
-
Ribeiro da Silva, M. A. V.; Matos, M. A. R.; Miranda, M. S.; Sousa, M. H. F. A.; Santos, R. M. B.; Bizarro, M. M.; Simões, J. A. M. Standard Enthalpies of Formation of 2, 6-Di-Tert-butyl-4-methylphenol and 3, 5-Di-Tert-butylphenol and their Phenoxy Radicals. Struct. Chem. 2001, 12, 171-181.
-
(2001)
Struct. Chem.
, vol.12
, pp. 171-181
-
-
Da Silva, M.A.V.R.1
Matos, M.A.R.2
Miranda, M.S.3
Sousa, M.H.F.A.4
Santos, R.M.B.5
Bizarro, M.M.6
Simões, J.A.M.7
-
7
-
-
3543070087
-
Thermochemical study of the cyanophenol isomers
-
Matos, M. A. R.; Miranda, M. S.; Morais, V. M. F. Thermochemical Study of the Cyanophenol Isomers. Struct. Chem. 2004, 15, 99-112.
-
(2004)
Struct. Chem.
, vol.15
, pp. 99-112
-
-
Matos, M.A.R.1
Miranda, M.S.2
Morais, V.M.F.3
-
8
-
-
0038699072
-
Thermochemical study of the methoxy- and dimethoxyphenol isomers
-
Matos, M. A. R.; Miranda, M. S.; Morais, V. M. F. Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers. J. Chem. Eng. Data 2003, 48, 669-679.
-
(2003)
J. Chem. Eng. Data
, vol.48
, pp. 669-679
-
-
Matos, M.A.R.1
Miranda, M.S.2
Morais, V.M.F.3
-
9
-
-
40949092312
-
3, 4, 5-Trimethoxyphenol: A combined experimental and theoretical thermochemical investigation of its antioxidant capacity
-
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. J. Chem. Thermodyn. 2008, 40, 625-631.
-
(2008)
J. Chem. Thermodyn.
, vol.40
, pp. 625-631
-
-
Matos, M.A.R.1
Miranda, M.S.2
Morais, V.M.F.3
-
10
-
-
2342625167
-
Standard molar enthalpies of formation of the methoxynitrophenol Isomers: A combined experimental and theoretical investigation
-
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. J. Chem. Thermodyn. 2004, 36, 431-436.
-
(2004)
J. Chem. Thermodyn.
, vol.36
, pp. 431-436
-
-
Miranda, M.S.1
Morais, V.M.F.2
Matos, M.A.R.3
-
11
-
-
0009560403
-
Thermodynamic properties of fluorine compounds. 9. Enthalpies of formation of some compounds containing the pentafluorophenyl group
-
Cox, J. D.; Gundry, H. A.; Harrop, D.; Head, A. J. Thermodynamic properties of fluorine compounds. 9. Enthalpies of formation of some compounds containing the pentafluorophenyl group. J. Chem. Thermodyn. 1969, 1, 77-87.
-
(1969)
J. Chem. Thermodyn.
, vol.1
, pp. 77-87
-
-
Cox, J.D.1
Gundry, H.A.2
Harrop, D.3
Head, A.J.4
-
12
-
-
0001440431
-
Heats of combustion of some organic compounds containing chlorine
-
Sinke, G. C.; Stull, D. R. Heats of Combustion of Some Organic Compounds Containing Chlorine. J. Phys. Chem. 1958, 62, 397-401.
-
(1958)
J. Phys. Chem.
, vol.62
, pp. 397-401
-
-
Sinke, G.C.1
Stull, D.R.2
-
13
-
-
33947609330
-
Thermochemical parameters of the chloronitrophenol isomers: A combined experimental and theoretical investigation
-
Morais, V. M. F.; Miranda, M. S.; Matos, M. A. R. Thermochemical Parameters of the Chloronitrophenol Isomers: A Combined Experimental and Theoretical Investigation. J. Chem. Eng. Data 2007, 52, 627-634.
-
(2007)
J. Chem. Eng. Data
, vol.52
, pp. 627-634
-
-
Morais, V.M.F.1
Miranda, M.S.2
Matos, M.A.R.3
-
14
-
-
33846804387
-
The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds
-
Gomes, J. R. B.; Liebman, J. F.; Ribeiro da Silva, M. A. V. The thermodynamics of the isomerization of cyanophenol and cyanothiophenol compounds. Struct. Chem. 2007, 18, 15-23.
-
(2007)
Struct. Chem.
, vol.18
, pp. 15-23
-
-
Gomes, J.R.B.1
Liebman, J.F.2
Da Silva, M.A.V.R.3
-
15
-
-
0001258842
-
Standard enthalpies of combustion of the six dichlorophenols by rotating- bomb calorimetry
-
Ribeiro da Silva, M. A. V.; Ferrão, M. L. C. C. H.; Jiye, F. Standard Enthalpies of Combustion of the Six Dichlorophenols by Rotating- Bomb Calorimetry. J. Chem. Thermodyn. 1994, 26, 839-846.
-
(1994)
J. Chem. Thermodyn.
, vol.26
, pp. 839-846
-
-
Da Silva, M.A.V.R.1
Ferrão, M.L.C.C.H.2
Jiye, F.3
-
16
-
-
0037434802
-
Gas-phase thermodynamic properties of dichlorophenols determined from density functional theory calculations
-
Gomes, J. R. B.; Ribeiro da Silva, M. A. V. Gas-Phase Thermodynamic Properties of Dichlorophenols Determined from Density Functional Theory Calculations. J. Phys. Chem. A 2003, 107, 869-874.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 869-874
-
-
Gomes, J.R.B.1
Da Silva, M.A.V.R.2
-
17
-
-
29244433821
-
Etudes thermochimiques sur les combinaisons organiques fluorees
-
Swarts, F. Etudes thermochimiques sur les combinaisons organiques fluorees. J. Chim. Phys. 1919, 17, 3-70.
-
(1919)
J. Chim. Phys.
, vol.17
, pp. 3-70
-
-
Swarts, F.1
-
18
-
-
33947376767
-
-
Skinner, H. A., Ed.; Interscience: New York
-
Good, W. D.; Scott, D. W. Combustion in a Bomb of Organic Fluorine Compounds. In Experimental Thermochemistry; Skinner, H. A., Ed.; Interscience: New York, 1962; Vol.2, pp 15-39.
-
(1962)
Combustion in a Bomb of Organic Fluorine Compounds. In Experimental Thermochemistry
, vol.2
, pp. 15-39
-
-
Good, W.D.1
Scott, D.W.2
-
19
-
-
33845864439
-
Degradation of mono-fluorophenols by an acclimated activated sludge
-
DOI 10.1007/s10532-005-9035-5
-
Chaojie, Z.; Qi, Z.; Ling, C.; Yuan, Y.; Hui, Y. Degradation of Mono- Fluorophenols by an Acclimated Activated Sludge. Biodegradation 2007, 18, 51-61. (Pubitemid 46020889)
-
(2007)
Biodegradation
, vol.18
, Issue.1
, pp. 51-61
-
-
Chaojie, Z.1
Qi, Z.2
Ling, C.3
Yuan, Y.4
Hui, Y.5
-
20
-
-
33847029573
-
Biodegradation of meta-fluorophenol by an acclimated activated sludge
-
DOI 10.1016/j.jhazmat.2006.07.002, PII S0304389406007965
-
Chaojie, Z.; Qi, Z.; Ling, C.; Zhichao, W.; Bin, X. Biodegradation of Meta-fluorophenol by an Acclimated Activated Sludge. J. Hazard. Mater. 2007, 141, 295-300. (Pubitemid 46273189)
-
(2007)
Journal of Hazardous Materials
, vol.141
, Issue.1
, pp. 295-300
-
-
Chaojie, Z.1
Qi, Z.2
Ling, C.3
Zhichao, W.4
Bin, X.5
-
21
-
-
0043247207
-
Synthesis and herbicidal activity of phenylproparginols
-
Parlow, J. J.; Clark, R. D. Synthesis and Herbicidal Activity of Phenylproparginols. J. Agric. Food Chem. 1994, 42, 2600-2609.
-
(1994)
J. Agric. Food Chem.
, vol.42
, pp. 2600-2609
-
-
Parlow, J.J.1
Clark, R.D.2
-
22
-
-
0032561372
-
Inhibitors of Acyl-CoA:Cholesterol O-Acyltransferase. 3. Discovery of a novel series of N-Alkyl-N-[(fluorophenoxy)benzyl]-N′-arylureas with weak toxicological effects on adrenal glands
-
Tanaka, A.; Terasawa, T.; Hagihara, H.; Ishibe, N.; Sawada, M.; Sakuma, Y.; Hashimoto, M.; Takasugi, H.; Tanaka, H. Inhibitors of Acyl-CoA:Cholesterol O-Acyltransferase. 3. Discovery of a Novel Series of N-Alkyl-N-[(fluorophenoxy) benzyl]-N′-arylureas with Weak Toxicological Effects on Adrenal Glands. J. Med. Chem. 1998, 41, 4408-4420.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 4408-4420
-
-
Tanaka, A.1
Terasawa, T.2
Hagihara, H.3
Ishibe, N.4
Sawada, M.5
Sakuma, Y.6
Hashimoto, M.7
Takasugi, H.8
Tanaka, H.9
-
23
-
-
0035821346
-
Design and synthesis of 2-Oxo-imidazolidine-4- carboxylic acid hydroxyamides as potent matrix metalloproteinase- 13inhibitors
-
Robinson, R. P.; Laird, E. R.; Donahue, K. M.; Lopresti-Morrow, L. L.; Mitchell, P. G.; Reese, M. R.; Reeves, L. M.; Rouch, A. I.; Stam, E. J.; Yocum, S. A. Design and Synthesis of 2-Oxo-imidazolidine-4- carboxylic Acid Hydroxyamides as Potent Matrix Metalloproteinase- 13Inhibitors. Bioorg. Med. Chem. Lett. 2001, 11, 1211-1213.
-
(2001)
Bioorg. Med. Chem. Lett.
, vol.11
, pp. 1211-1213
-
-
Robinson, R.P.1
Laird, E.R.2
Donahue, K.M.3
Lopresti-Morrow, L.L.4
Mitchell, P.G.5
Reese, M.R.6
Reeves, L.M.7
Rouch, A.I.8
Stam, E.J.9
Yocum, S.A.10
-
24
-
-
70349702382
-
4-Fluorophenol: A key intermediate for agrochemicals and pharmaceuticals
-
Mercier, C.; Youmans, P. 4-Fluorophenol: A key Intermediate for Agrochemicals and Pharmaceuticals. Ind. Chem. Lib. 1996, 8, 293-300.
-
(1996)
Ind. Chem. Lib.
, vol.8
, pp. 293-300
-
-
Mercier, C.1
Youmans, P.2
-
25
-
-
0001161617
-
Energetics of the O-H bond in phenol and substituted phenols: A critical evaluation of literature data
-
Borges dos Santos, R. M.; Martinho Simões, J. A. Energetics of the O-H Bond in Phenol and Substituted Phenols: A Critical Evaluation of Literature Data. J. Phys. Chem. Ref. Data 1998, 27, 707-739.
-
(1998)
J. Phys. Chem. Ref. Data
, vol.27
, pp. 707-739
-
-
Dos Santos, R.M.B.1
Simões, J.A.M.2
-
26
-
-
0000451316
-
Dissociation of substituted anisoles: Substituent effects on bond strengths
-
Survan, M. M.; Kafafi, S. A.; Stein, S. E. Dissociation of Substituted Anisoles: Substituent Effects on Bond Strengths. J. Am. Chem. Soc. 1989, 111, 4594-4600.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4594-4600
-
-
Survan, M.M.1
Kafafi, S.A.2
Stein, S.E.3
-
27
-
-
0012459682
-
-
NIST Standard Reference Database 19B: Gaithersburg, MD
-
Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. NIST NegatiVe Ion Energetics Data Base; NIST Standard Reference Database 19B: Gaithersburg, MD, 1993.
-
(1993)
NIST Negative Ion Energetics Data Base
-
-
Lias, S.G.1
Bartmess, J.E.2
Liebman, J.F.3
Holmes, J.L.4
Levin, R.D.5
Mallard, W.G.6
-
28
-
-
0001520416
-
Heterolysis and homolysis energies for some carbon-oxygen bonds
-
Arnett, E. M.; Amarnath, K.; Harvey, N. G.; Venimadhavan, S. Heterolysis and Homolysis Energies for some Carbon-Oxygen Bonds. J. Am. Chem. Soc. 1990, 112, 7346-7353.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 7346-7353
-
-
Arnett, E.M.1
Amarnath, K.2
Harvey, N.G.3
Venimadhavan, S.4
-
29
-
-
0025290259
-
The one-electron reduction potential of 4-substituted phenoxyl radicals in water
-
Lind, J.; Shen, X.; Eriksen, T. E.; Merenyi, G. The One-Electron Reduction Potential of 4-Substituted Phenoxyl Radicals in Water. J. Am. Chem. Soc. 1990, 112, 479-482.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 479-482
-
-
Lind, J.1
Shen, X.2
Eriksen, T.E.3
Merenyi, G.4
-
30
-
-
0000134806
-
3 bond dissociation energies in phenol and anisole
-
3 Bond Dissociation Energies in Phenol and Anisole. J. Org. Chem. 1996, 61, 7904-7910.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 7904-7910
-
-
Wu, Y.-D.1
Lai, D.K.W.2
-
31
-
-
0036086494
-
Protonation of fluorophenols and fluoroanisoles in the gas phase: Experiment and theory
-
Bogdanov, B.; Duijn, D.; Ingemann, S.; Hammerum, S. Protonation of Fluorophenols and Fluoroanisoles in the Gas Phase: Experiment and Theory. Phys. Chem. Chem. Phys. 2002, 4, 2904-2910.
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 2904-2910
-
-
Bogdanov, B.1
Duijn, D.2
Ingemann, S.3
Hammerum, S.4
-
32
-
-
0343030938
-
Ionization of fluorophenols in aqueous solution
-
Crimmins, F. T.; Dymek, C.; Flood, M.; O'Hara, W. F. Ionization of Fluorophenols in Aqueous Solution. J. Phys. Chem. 1966, 70, 931-933.
-
(1966)
J. Phys. Chem.
, vol.70
, pp. 931-933
-
-
Crimmins, F.T.1
Dymek, C.2
Flood, M.3
O'Hara, W.F.4
-
33
-
-
19944393521
-
Structures of the monofluoro- and monochloro-phenols at low temperature and high pressure
-
Oswald, I. D. H.; Allan, D. R.; Samuel Motherwell, W. D.; Parsons, S. Structures of the Monofluoro- and Monochloro-phenols at Low Temperature and High Pressure. Acta Crystallogr. 2005, B61, 69-79.
-
(2005)
Acta Crystallogr.
, vol.B61
, pp. 69-79
-
-
Oswald, I.D.H.1
Allan, D.R.2
Motherwell, W.D.S.3
Parsons, S.4
-
34
-
-
19944414360
-
Realizing predicted crystal structures at extreme conditions: The chlorophenol and 4-fluorophenol
-
Oswald, I. D. H.; Allan, D. R.; Motherwell, W. D. S.; Parsons, S. Realizing Predicted Crystal Structures at Extreme Conditions: The Chlorophenol and 4-Fluorophenol. Cryst. Growth Des. 2005, 5, 1055-1071.
-
(2005)
Cryst. Growth Des.
, vol.5
, pp. 1055-1071
-
-
Oswald, I.D.H.1
Allan, D.R.2
Motherwell, W.D.S.3
Parsons, S.4
-
35
-
-
0036629171
-
Theoretical vibrational analysis of monohalogenated phenols
-
Tishchenko, O.; Kryachko, E. S.; Nguyen, M. T. Theoretical Vibrational Analysis of Monohalogenated Phenols. Spectrochim. Acta, Part A 2002, 58, 1951-1969.
-
(2002)
Spectrochim. Acta, Part A
, vol.58
, pp. 1951-1969
-
-
Tishchenko, O.1
Kryachko, E.S.2
Nguyen, M.T.3
-
36
-
-
0011716332
-
Microwave spectrum of 3-fluorophenol
-
Jaman, A. I.; Nandi, R. N.; Ghosh, D. K. Microwave Spectrum of 3-Fluorophenol. J. Mol. Spectrosc. 1981, 86, 269-274.
-
(1981)
J. Mol. Spectrosc.
, vol.86
, pp. 269-274
-
-
Jaman, A.I.1
Nandi, R.N.2
Ghosh, D.K.3
-
37
-
-
0011718022
-
Microwave spectrum of deuterated trans-3-fluorophenol
-
Jaman, A. I.; Chatterjee, N.; Ghosh, D. K. Microwave Spectrum of Deuterated trans-3-Fluorophenol. J. Mol. Struct. 1982, 82, 17-21.
-
(1982)
J. Mol. Struct.
, vol.82
, pp. 17-21
-
-
Jaman, A.I.1
Chatterjee, N.2
Ghosh, D.K.3
-
38
-
-
34548491196
-
Microwave spectrum of trans 3-fluorophenol in excited torsional states
-
Jaman, A. I. Microwave Spectrum of trans 3-Fluorophenol in Excited Torsional States. J. Mol. Spectrosc. 2007, 245, 21-25.
-
(2007)
J. Mol. Spectrosc.
, vol.245
, pp. 21-25
-
-
Jaman, A.I.1
-
39
-
-
0038172266
-
Molecular structure and infrared spectra of 4-fluorophenol: A combined theoretical and spectroscopic study
-
Zierkiewicz, W.; Michalska, D.; Czarnik-Matusewicz, B.; Rospenk, M. Molecular Structure and Infrared Spectra of 4-Fluorophenol: A Combined Theoretical and Spectroscopic Study. J. Phys. Chem. A 2003, 107, 4547-4554.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4547-4554
-
-
Zierkiewicz, W.1
Michalska, D.2
Czarnik-Matusewicz, B.3
Rospenk, M.4
-
40
-
-
0002372693
-
Microwave spectra and internal rotation of 4-fluorophenol, 4-chlorophenol and 4-bromophenol
-
Larsen, N. W. Microwave Spectra and Internal Rotation of 4-Fluorophenol, 4-Chlorophenol and 4-Bromophenol. J. Mol. Struct. 1986, 144, 83-99.
-
(1986)
J. Mol. Struct.
, vol.144
, pp. 83-99
-
-
Larsen, N.W.1
-
41
-
-
0002377380
-
Far-infrared gas spectra of phenol, 4-fluorophenol, thiophenol and some deuterated species: Barrier to internal rotation
-
Larsen, N. W.; Nicolaisen, F. M. Far-Infrared Gas Spectra of Phenol, 4-Fluorophenol, Thiophenol and Some Deuterated species: Barrier to Internal Rotation. J. Mol. Struct. 1974, 22, 29-43.
-
(1974)
J. Mol. Struct.
, vol.22
, pp. 29-43
-
-
Larsen, N.W.1
Nicolaisen, F.M.2
-
42
-
-
33947478152
-
An infrared study of substitution in the benzene ring
-
Cabana, A.; Patenaude, J. T.; Sandorfy, C.; Bavin, P. M. An Infrared Study of Substitution in the Benzene Ring. J. Phys. Chem. 1960, 64, 1941-1944.
-
(1960)
J. Phys. Chem.
, vol.64
, pp. 1941-1944
-
-
Cabana, A.1
Patenaude, J.T.2
Sandorfy, C.3
Bavin, P.M.4
-
43
-
-
0001062121
-
Microwave spectral study of 2-fluorophenol: Cis conformer
-
Dutta, A.; Jaman, A. I.; Nandi, R. N. Microwave Spectral Study of 2-Fluorophenol: cis Conformer. J. Mol. Spectrosc. 1985, 114, 274-279.
-
(1985)
J. Mol. Spectrosc.
, vol.114
, pp. 274-279
-
-
Dutta, A.1
Jaman, A.I.2
Nandi, R.N.3
-
44
-
-
0002577602
-
Molecular structure of 2-fluorophenol and 2, 6- difluorophenol from gas-phase electron diffraction
-
Vajda, E.; Hargittai, I. Molecular Structure of 2-Fluorophenol and 2, 6- Difluorophenol from Gas-Phase Electron Diffraction. J. Phys. Chem. 1993, 97, 70-76.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 70-76
-
-
Vajda, E.1
Hargittai, I.2
-
45
-
-
34250023189
-
Vibrational spectroscopic study of 2-fluorophenol and 2, 3, 5, 6- tetrafluorohydroquinone
-
Kovács, A.; Izvekov, V.; Keresztury, G.; Nielsen, C. J.; Klæboe, P. Vibrational Spectroscopic Study of 2-Fluorophenol and 2, 3, 5, 6- Tetrafluorohydroquinone. Chem. Phys. 2007, 335, 205-214.
-
(2007)
Chem. Phys.
, vol.335
, pp. 205-214
-
-
Kovács, A.1
Izvekov, V.2
Keresztury, G.3
Nielsen, C.J.4
Klæboe, P.5
-
46
-
-
34548289882
-
Vibrational overtone spectra of o-fluorophenol and the "Anomalous" order of intramolecular hydrogen bonding strengths
-
John, U.; Kuriakose, S.; Nair, K. P. R. Vibrational Overtone Spectra of o-Fluorophenol and the "Anomalous" Order of Intramolecular Hydrogen Bonding Strengths. Spectrochim. Acta, Part A 2007, 68, 331-336.
-
(2007)
Spectrochim. Acta, Part A
, vol.68
, pp. 331-336
-
-
John, U.1
Kuriakose, S.2
Nair, K.P.R.3
-
47
-
-
33947091615
-
Torsional frequencies and enthalpies of intramolecular hydrogen bonds of o-halophenols
-
Carlson, G. L.; Fateley, W. G.; Manocha, A. S.; Bentley, F. F. Torsional frequencies and enthalpies of intramolecular hydrogen bonds of o-halophenols. J. Phys. Chem. 1972, 76, 1553-1557.
-
(1972)
J. Phys. Chem.
, vol.76
, pp. 1553-1557
-
-
Carlson, G.L.1
Fateley, W.G.2
Manocha, A.S.3
Bentley, F.F.4
-
48
-
-
0346650701
-
Hydrogen bonding in 2-fluorophenol, and rotation about the C-O bond: A molecular orbital study
-
George, P.; Bock, C. W.; Trachtman, M. Hydrogen Bonding in 2-Fluorophenol, and Rotation About the C---O Bond: A Molecular Orbital Study. J. Mol. Struct. (Theochem) 1987, 152, 35-53.
-
(1987)
J. Mol. Struct. (Theochem)
, vol.152
, pp. 35-53
-
-
George, P.1
Bock, C.W.2
Trachtman, M.3
-
49
-
-
0001093054
-
Intramolecular hydrogen bonding in fluorophenol derivatives: 2-Fluorophenol, 2, 6-difluorophenol, and 2, 3, 5, 6-tetrafluorohydroquinone
-
Kovács, A.; Macsari, I.; Hargittai, I. Intramolecular Hydrogen Bonding in Fluorophenol Derivatives: 2-Fluorophenol, 2, 6-Difluorophenol, and 2, 3, 5, 6-Tetrafluorohydroquinone. J. Phys. Chem. A 1999, 103, 3110-3114.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3110-3114
-
-
Kovács, A.1
Macsari, I.2
Hargittai, I.3
-
50
-
-
0037136807
-
A DFT study on intramolecular hydrogen bonding in 2-substituted Phenols: Conformations, enthalpies, and correlation with solute parameters
-
Korth, H.-G.; de Heer, M. I.; Mulder, P. A DFT Study on Intramolecular Hydrogen Bonding in 2-Substituted Phenols: Conformations, Enthalpies, and Correlation with Solute Parameters. J. Phys. Chem. A 2002, 106, 8779-8789.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 8779-8789
-
-
Korth, H.-G.1
De Heer, M.I.2
Mulder, P.3
-
51
-
-
0003352144
-
A method for estimating the enthalpies of formation of benzene derivatives in the gas state
-
June
-
Cox, J. D. A Method for Estimating the Enthalpies of Formation of Benzene Derivatives in the Gas State. NPL Report CHEM 83; June 1978.
-
(1978)
NPL Report CHEM 83
-
-
Cox, J.D.1
-
52
-
-
70349703845
-
Basic principles of combustion calorimetry
-
Sunner, S., Månsson, M., Eds.; Pergamon: Oxford
-
Sunner, S. Basic Principles of Combustion Calorimetry. In Experimental Chemical Thermodynamics; Sunner, S., Månsson, M., Eds.; Pergamon: Oxford, 1979; Vol 1, pp 14-34.
-
(1979)
Experimental Chemical Thermodynamics
, vol.1
, pp. 14-34
-
-
Sunner, S.1
-
53
-
-
70349716191
-
-
Graduation Thesis, Faculty of Science, University of Porto
-
Vale, M. L. C. Graduation Thesis, Faculty of Science, University of Porto, 1989.
-
(1989)
-
-
Vale, M.L.C.1
-
54
-
-
70349713151
-
-
Sc. Thesis Faculty of Science, University of Porto
-
Silva, A. M. R. O. A. M. Sc. Thesis, Faculty of Science, University of Porto, 1993.
-
(1993)
-
-
-
55
-
-
0042473208
-
Standard molar enthalpies of formation, vapour pressures, and enthalpies of sublimation of 2-Chloro-4-nitroaniline and 2-Chloro-5-nitroaniline
-
Ribeiro da Silva, M. A. V.; Spencer, S.; Lima, L. M.; Amaral, L. M. P. F.; Ferreira, A. I. M. C. L.; Gomes, J. R. B. Standard Molar Enthalpies of Formation, Vapour Pressures, and Enthalpies of Sublimation of 2-Chloro-4-nitroaniline and 2-Chloro-5-nitroaniline. J. Chem. Thermodyn. 2003, 35, 1343-1359.
-
(2003)
J. Chem. Thermodyn.
, vol.35
, pp. 1343-1359
-
-
Da Silva, M.A.V.R.1
Spencer, S.2
Lima, L.M.3
Amaral, L.M.P.F.4
Ferreira, A.I.M.C.L.5
Gomes, J.R.B.6
-
56
-
-
70349716193
-
-
Ph. D. Thesis, University of Porto
-
Santos, L. M. N. B. F. Ph. D. Thesis, University of Porto, 1995.
-
(1995)
-
-
Santos, L.M.N.B.F.1
-
57
-
-
33947416877
-
Combustion calorimetry of organic fluorine compounds by a rotating-bomb method
-
Good, W. D.; Scott, D. W.; Waddington, G. Combustion Calorimetry of Organic Fluorine Compounds by a Rotating-Bomb Method. J. Phys. Chem. 1956, 60, 1080-1089.
-
(1956)
J. Phys. Chem.
, vol.60
, pp. 1080-1089
-
-
Good, W.D.1
Scott, D.W.2
Waddington, G.3
-
59
-
-
0037618693
-
-
Rossini, F. D., Ed.; Interscience: New York
-
Coops, J.; Jessup, R. S.; Van Nes, K., Calibration of Calorimeters for Reactions in a Bomb at Constant Volume. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol.1, pp 27-58.
-
(1956)
Calibration of Calorimeters for Reactions in a Bomb at Constant Volume. In Experimental Thermochemistry
, vol.1
, pp. 27-58
-
-
Coops, J.1
Jessup, R.S.2
Van Nes, K.3
-
60
-
-
33947392598
-
Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers
-
Ribeiro da Silva, M. A. V.; Ferreira, A. I. M. C. L.; Gomes, J. R. B. Combined Experimental and Computational Study of the Thermochemistry of the Fluoroaniline Isomers. J. Phys. Chem. B 2007, 111, 2052-2061.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 2052-2061
-
-
Da Silva, M.A.V.R.1
Ferreira, A.I.M.C.L.2
Gomes, J.R.B.3
-
61
-
-
0039374748
-
Reference materials for calorimetry and differential thermal analysis
-
Sabbah, R.; Xu-wu, A.; Chickos, J. S.; Planas Leitão, M. L.; Roux, M. V.; Torres, L. A. Reference Materials for Calorimetry and Differential Thermal Analysis. Thermochim. Acta 1999, 331, 93-204.
-
(1999)
Thermochim. Acta
, vol.331
, pp. 93-204
-
-
Sabbah, R.1
Xu-wu, A.2
Chickos, J.S.3
Leitão, M.L.P.4
Roux, M.V.5
Torres, L.A.6
-
63
-
-
37049056850
-
The heats of combustion of the four isomeric butyl alcohols
-
Skinner, H. A.; Snelson, A. The Heats of Combustion of the Four Isomeric Butyl Alcohols. Trans. Faraday Soc. 1960, 56, 1776-1783.
-
(1960)
Trans. Faraday Soc.
, vol.56
, pp. 1776-1783
-
-
Skinner, H.A.1
Snelson, A.2
-
65
-
-
0000277010
-
The NBS tables of chemical thermodynamic properties
-
Wagman, D. D.; Evans, W. H.; Parker, V. B.; Schumm, R. H.; Halow I.; Bailey, S. M.; Churney, K. L.; Nutall, R. L. The NBS Tables of Chemical Thermodynamic Properties. J. Phys. Chem. Ref. Data 1982, 11, Suppl. 2.
-
(1982)
J. Phys. Chem. Ref. Data
, vol.11
, Issue.SUPPL 2
-
-
Wagman, D.D.1
Evans, W.H.2
Parker, V.B.3
Schumm, R.H.4
Halow, I.5
Bailey, S.M.6
Churney, K.L.7
Nutall, R.L.8
-
66
-
-
0003075914
-
Standard states and corrections for combustions in a bomb at constant volume
-
Rossini, F. D., Ed.; Interscience: New York
-
Hubbard, W. N.; Scott, D. W.; Waddington, G. Standard States and Corrections for Combustions in a Bomb at Constant Volume. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol.1, pp 75-128.
-
(1956)
Experimental Thermochemistry
, vol.1
, pp. 75-128
-
-
Hubbard, W.N.1
Scott, D.W.2
Waddington, G.3
-
67
-
-
0000877293
-
Thermodynamic properties of fluorine compounds. Part 1. Heats of combustion of p-fluorobenzoic acid, pentafluorobenzoic acid, hexafluorobenzene and decafluorocyclohexene
-
Cox, J. D.; Gundry, H. A.; Head, A. J. Thermodynamic Properties of Fluorine Compounds. Part 1. Heats of Combustion of p-Fluorobenzoic Acid, Pentafluorobenzoic acid, Hexafluorobenzene and Decafluorocyclohexene. Trans. Faraday Soc. 1964, 60, 653-665.
-
(1964)
Trans. Faraday Soc.
, vol.60
, pp. 653-665
-
-
Cox, J.D.1
Gundry, H.A.2
Head, A.J.3
-
70
-
-
33746687663
-
Lattice parameters and space groups of p- halophenols
-
Michel, P.; Perrin, M. Lattice Parameters and Space Groups of p- Halophenols. C.R. Acad. Sci., Paris, Ser. C (Chim.) 1968, 267, 305-306.
-
(1968)
C.R. Acad. Sci., Paris, Ser. C (Chim.)
, vol.267
, pp. 305-306
-
-
Michel, P.1
Perrin, M.2
-
71
-
-
33750896653
-
Atomic weights of the elements 2005 (IUPAC Technical Report)
-
Wieser, M. E. Atomic Weights of the Elements 2005 (IUPAC Technical Report). Pure Appl. Chem. 2006, 78, 2051-2066.
-
(2006)
Pure Appl. Chem.
, vol.78
, pp. 2051-2066
-
-
Wieser, M.E.1
-
72
-
-
0001333123
-
Thermochemical study of 2-, 4-, 6-, and 8-methylquinoline
-
Ribeiro da Silva, M. A. V.; Matos, M. A. R.; Amaral, L. M. P. F. Thermochemical Study of 2-, 4-, 6-, and 8-Methylquinoline. J. Chem. Thermodyn. 1995, 27, 565-574.
-
(1995)
J. Chem. Thermodyn.
, vol.27
, pp. 565-574
-
-
Da Silva, M.A.V.R.1
Matos, M.A.R.2
Amaral, L.M.P.F.3
-
73
-
-
0001151479
-
Thermochemistry of arene chromium tricarbonyls and the strengths of arene-chromium bonds
-
Adedeji, F. A.; Lalage, D.; Brown, D. L. S.; Connor, J. A.; Leung, M.; Paz Andrade, M. I.; Skinner, H. A. Thermochemistry of Arene Chromium Tricarbonyls and the Strengths of Arene-Chromium Bonds. J. Organomet. Chem. 1975, 97, 221-228.
-
(1975)
J. Organomet. Chem.
, vol.97
, pp. 221-228
-
-
Adedeji, F.A.1
Lalage, D.2
Brown, D.L.S.3
Connor, J.A.4
Leung, M.5
Andrade, M.I.P.6
Skinner, H.A.7
-
74
-
-
2342655037
-
Measurement of enthalpies of sublimation by drop method in a calvet type calorimeter: Design and test of a new system
-
Santos, L. M. N. B. F.; Schröder, B.; Fernandes, O. O. P.; Ribeiro da Silva, M. A. V. Measurement of Enthalpies of Sublimation by Drop Method in a Calvet Type Calorimeter: Design and Test of a New System. Thermochim. Acta 2004, 415, 15-20.
-
(2004)
Thermochim. Acta
, vol.415
, pp. 15-20
-
-
Santos, L.M.N.B.F.1
Schröder, B.2
Fernandes, O.O.P.3
Da Silva, M.A.V.R.4
-
75
-
-
0035982010
-
Enthalpies of sublimation of organic and organometallic compounds, 1910-2001
-
Chickos, J. S.; Acree, W. E., Jr. Enthalpies of Sublimation of Organic and Organometallic Compounds, 1910-2001. J. Phys. Chem. Ref. Data 2002, 31, 537-698.
-
(2002)
J. Phys. Chem. Ref. Data
, vol.31
, pp. 537-698
-
-
Chickos, J.S.1
Acree Jr., W.E.2
-
76
-
-
30244446586
-
Enthalpies of vaporization of organic and organometallic compounds 1880-2002
-
Chickos, J. S.; Acree, W. E., Jr. Enthalpies of Vaporization of Organic and Organometallic Compounds, 1880-2002. J. Phys. Chem. Ref. Data 2003, 32, 519-878.
-
(2003)
J. Phys. Chem. Ref. Data
, vol.32
, pp. 519-878
-
-
Chickos, J.S.1
Acree Jr., W.E.2
-
78
-
-
0039021077
-
The enthalpies of solution and neutralization of HF(l); enthalpies of dilution and derived thermodynamic properties of HF(aq)
-
Johnson, G. K.; Smith, P. N.; Hubbard, W. N. The Enthalpies of Solution and Neutralization of HF(l); Enthalpies of Dilution and Derived Thermodynamic Properties of HF(aq). J. Chem. Thermodyn. 1973, 5, 793-809.
-
(1973)
J. Chem. Thermodyn.
, vol.5
, pp. 793-809
-
-
Johnson, G.K.1
Smith, P.N.2
Hubbard, W.N.3
-
79
-
-
0002754020
-
-
Rossini, F. D., Ed.; Interscience: New York
-
Rossini, F. D. Assignment of Uncertainties to Thermochemical Data. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol.1l, pp 297-320.
-
(1956)
Assignment of Uncertainties to Thermochemical Data. In Experimental Thermochemistry
, vol.11
, pp. 297-320
-
-
Rossini, F.D.1
-
80
-
-
21744454317
-
-
Sunner, S., Månsson, M., Eds.; Pergamon: Oxford
-
Olofsson, G. Assignment of Uncertainties. In Experimental Chemical Thermodynamics; Sunner, S., Månsson, M., Eds.; Pergamon: Oxford, 1979; Vol 1, pp 137-161.
-
(1979)
Assignment of Uncertainties. In Experimental Chemical Thermodynamics
, vol.1
, pp. 137-161
-
-
Olofsson, G.1
-
82
-
-
11344274827
-
-
Inc.: Pittsburgh PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian03, Revision C.02, Gaussian, Inc.: Pittsburgh PA, 2004.
-
(2004)
Gaussian03, Revision C.02, Gaussian
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
83
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange. J. Chem. Phys. 1993, 98, 5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
84
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behaviour
-
Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behaviour. Phys. ReV. A 1988, 38, 3098-3100.
-
(1988)
Phys. ReV. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
85
-
-
0345491105
-
Development of the colle-salvetti correlation-energy formula into a functional of the electron density
-
Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Phys. ReV. B 1988, 37, 785-789.
-
(1988)
Phys. ReV. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
86
-
-
36549091139
-
Self-consistent molecular orbital methods 25. Supplementary functions for gaussian basis sets
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S. Self-Consistent Molecular Orbital Methods 25. Supplementary Functions for Gaussian Basis Sets. J. Chem. Phys. 1984, 80, 3265-3269.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265-3269
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
87
-
-
36649020243
-
An evaluation of harmonic vibrational frequency scale factors
-
Merrick, J. P.; Moran, D.; Radom, L. An Evaluation of Harmonic Vibrational Frequency Scale Factors. J. Phys. Chem. A 2007, 111, 11683-11700.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11683-11700
-
-
Merrick, J.P.1
Moran, D.2
Radom, L.3
-
88
-
-
58149248025
-
Experimental and computational study on the molecular energetics of the three monofluoroanisole isomers
-
361-266
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C. Experimental and Computational Study on the Molecular Energetics of the Three Monofluoroanisole Isomers. J. Chem. Thermodyn. 2009, 41, 361-1266
-
(2009)
J. Chem. Thermodyn.
, vol.41
-
-
Da Silva, M.A.V.R.1
Ferreira, A.I.M.C.L.2
-
89
-
-
0031997933
-
Density functional, infrared linear dichroism and normal coordinate study of phenol and its deuterated derivatives: Revised interpretation of the vibrational spectra
-
Keresztury, G.; Billes, F.; Kubinyi, M.; Sundius, T. A Density Functional, Infrared Linear Dichroism, and Normal Coordinate Study of Phenol and its Deuterated Derivatives: Revised Interpretation of the Vibrational Spectra. J. Phys. Chem. A 1998, 102, 1371-1380.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 1371-1380
-
-
Keresztury, G.1
Billes, F.2
Kubinyi, M.3
Sundius, T.A.4
-
90
-
-
10844251015
-
Energetics of intramolecular hydrogen bonding in di-substituted benzenes by the ortho-para method
-
Estácio, S. G.; Cabral do Couto, P.; Costa Cabral, B. J.; Minas da Piedade, M. E.; Martinho Simões, J. A. Energetics of Intramolecular Hydrogen Bonding in Di-substituted Benzenes by the ortho-para Method. J. Phys. Chem. A 2004, 108, 10834-10843.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 10834-10843
-
-
Estácio, S.G.1
Do Couto, P.C.2
Cabral, B.J.C.3
Da Piedade, M.E.M.4
Simões, J.A.M.5
|