-
3
-
-
0035962895
-
Synthesis of selectively deuterated nitrobenzene derivatives
-
Lemek, T.; Makosza, M.; Goliñski, J. Synthesis of selectively deuterated nitrobenzene derivatives Tetrahedron 2001, 57, 4753-4757
-
(2001)
Tetrahedron
, vol.57
, pp. 4753-4757
-
-
Lemek, T.1
Makosza, M.2
Goliñski, J.3
-
4
-
-
37249026646
-
Clean production of chloroanilines by selective gas phase hydrogenation over supported Ni catalysts
-
Cárdenas-Lizana, F.; Gómez-Quero, S.; Keane, M. A. Clean production of chloroanilines by selective gas phase hydrogenation over supported Ni catalysts Appl. Catal., A 2008, 334, 199-206
-
(2008)
Appl. Catal., A
, vol.334
, pp. 199-206
-
-
Cárdenas-Lizana, F.1
Gómez-Quero, S.2
Keane, M.A.3
-
5
-
-
0003930145
-
Aromatic fluorine compounds. I. Preparation of p-fluoraniline by catalytic reduction of nitrobenzene in hydrogen fluoride
-
Fidler, D. A.; Logan, J. S.; Boudakian, M. M. Aromatic fluorine compounds. I. Preparation of p-fluoraniline by catalytic reduction of nitrobenzene in hydrogen fluoride J. Org. Chem. 1961, 26, 4014-4017
-
(1961)
J. Org. Chem.
, vol.26
, pp. 4014-4017
-
-
Fidler, D.A.1
Logan, J.S.2
Boudakian, M.M.3
-
6
-
-
0342657817
-
A solid phase traceless synthesis of quinoxalinones
-
Krchnák, V.; Szabo, L. M.; Vágner, J. A solid phase traceless synthesis of quinoxalinones Tetrahedron Lett. 2000, 41, 2835-2838
-
(2000)
Tetrahedron Lett.
, vol.41
, pp. 2835-2838
-
-
Krchnák, V.1
Szabo, L.M.2
Vágner, J.3
-
7
-
-
0035953011
-
A solid-phase traceless synthesis of tetrahydroquinoxalines
-
Krchnák, V.; Smith, J. M.; Vágner, J. A solid-phase traceless synthesis of tetrahydroquinoxalines Tetrahedron Lett. 2001, 42, 2443-2446
-
(2001)
Tetrahedron Lett.
, vol.42
, pp. 2443-2446
-
-
Krchnák, V.1
Smith, J.M.2
Vágner, J.3
-
8
-
-
0942291467
-
Aromatic amines from azo dye reduction: Status review with emphasis on direct UV spectrophotometric detection in textile industry wastewaters
-
Pinheiro, H. M.; Touraud, E.; Thomas, O. Aromatic amines from azo dye reduction: Status review with emphasis on direct UV spectrophotometric detection in textile industry wastewaters Dyes Pigm. 2004, 61, 121-139
-
(2004)
Dyes Pigm.
, vol.61
, pp. 121-139
-
-
Pinheiro, H.M.1
Touraud, E.2
Thomas, O.3
-
9
-
-
2942754145
-
Facile synthesis of azo compounds from aromatic nitro compounds using magnesium and triethylammonium formate
-
Srinivasa, G. R.; Abiraj, K.; Gowda, D C. Facile synthesis of azo compounds from aromatic nitro compounds using magnesium and triethylammonium formate Aus. J. Chem. 2004, 57, 609-610
-
(2004)
Aus. J. Chem.
, vol.57
, pp. 609-610
-
-
Srinivasa, G.R.1
Abiraj, K.2
Gowda, D.C.3
-
10
-
-
34447631346
-
Temperature and pH effect on the microbial reductive transformation of pentachloronitrobenzene
-
Tas, D. O.; Pavlostathis, S. G. Temperature and pH effect on the microbial reductive transformation of pentachloronitrobenzene J. Agric. Food Chem. 2007, 55, 5390-5398
-
(2007)
J. Agric. Food Chem.
, vol.55
, pp. 5390-5398
-
-
Tas, D.O.1
Pavlostathis, S.G.2
-
11
-
-
0017183859
-
Metabolism of the fungicide 2,6-dichloro-4-nitroaniline in soil
-
Van Alfen, N. K.; Kosuge, T. Metabolism of the fungicide 2,6-dichloro-4-nitroaniline in soil J. Agric. Food Chem. 1976, 24, 584-588
-
(1976)
J. Agric. Food Chem.
, vol.24
, pp. 584-588
-
-
Van Alfen, N.K.1
Kosuge, T.2
-
12
-
-
0015673678
-
Effect of soil treatments on losses of two chloronitrobenzene fungicides
-
Wang, C. H.; Broadbent, F. E. Effect of soil treatments on losses of two chloronitrobenzene fungicides J. Environ. Qual. 1973, 2, 511-515
-
(1973)
J. Environ. Qual.
, vol.2
, pp. 511-515
-
-
Wang, C.H.1
Broadbent, F.E.2
-
13
-
-
0037150397
-
Processing characteristics and physicomechanical properties of natural rubber and liquid natural rubber blends
-
Okieimen, F. E.; Akinlabi, A. K. Processing characteristics and physicomechanical properties of natural rubber and liquid natural rubber blends J. Appl. Polym. Sci. 2002, 85, 1070-1076
-
(2002)
J. Appl. Polym. Sci.
, vol.85
, pp. 1070-1076
-
-
Okieimen, F.E.1
Akinlabi, A.K.2
-
14
-
-
38149016915
-
Understanding organofluorine chemistry. An introduction to the C-F bond
-
O'Hagan, D. Understanding organofluorine chemistry. An introduction to the C-F bond Chem. Soc. Rev. 2008, 37, 308-319
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 308-319
-
-
O'Hagan, D.1
-
15
-
-
38149070200
-
Fluorine in medicinal chemistry
-
Purser, S.; Moore, P. R.; Swallowb, S.; Gouverneur, V. Fluorine in medicinal chemistry Chem. Soc. Rev. 2008, 37, 320-330
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 320-330
-
-
Purser, S.1
Moore, P.R.2
Swallowb, S.3
Gouverneur, V.4
-
16
-
-
0037103061
-
Synthesis and characterization of novel soluble triphenylamine-containing aromatic polyamides based on N, N '-bis(4-aminophenyl)-N, N '-diphenyl-1,4-phenylenediamine
-
Liou, G.; Hsiao, S.; Ishida, M.; Kakimoto, M.; Imai, Y. Synthesis and characterization of novel soluble triphenylamine-containing aromatic polyamides based on N, N '-bis(4-aminophenyl)-N, N '-diphenyl-1,4-phenylenediamine J. Polym. Sci., Part A: Polym. Chem. 2002, 40, 2810-2818
-
(2002)
J. Polym. Sci., Part A: Polym. Chem.
, vol.40
, pp. 2810-2818
-
-
Liou, G.1
Hsiao, S.2
Ishida, M.3
Kakimoto, M.4
Imai, Y.5
-
17
-
-
33747178146
-
Novel aromatic polyamides and polyimides functionalized with 4-tert-butyltriphenylamine groups
-
Hsiao, S.; Chang, Y.; Chen, H.; Liou, G. Novel aromatic polyamides and polyimides functionalized with 4-tert-butyltriphenylamine groups J. Polym. Sci., Part A: Polym. Chem. 2006, 44, 4579-4592
-
(2006)
J. Polym. Sci., Part A: Polym. Chem.
, vol.44
, pp. 4579-4592
-
-
Hsiao, S.1
Chang, Y.2
Chen, H.3
Liou, G.4
-
18
-
-
0037018985
-
High glass transitions of new polyamides, polyimides, and poly(amide-imide)s containing a triphenylamine group: Synthesis and characterization
-
Liaw, D.; Hsu, P.; Chen, W.; Lin, S. High glass transitions of new polyamides, polyimides, and poly(amide-imide)s containing a triphenylamine group: Synthesis and characterization Macromolecules 2002, 35, 4669-4676
-
(2002)
Macromolecules
, vol.35
, pp. 4669-4676
-
-
Liaw, D.1
Hsu, P.2
Chen, W.3
Lin, S.4
-
19
-
-
13244289768
-
Novel aromatic poly(amine-imide)s bearing a pendent triphenylamine group: Synthesis, thermal, photophysical, electrochemical, and electrochromic characteristics
-
Cheng, S.; Hsiao, S.; Su, T.; Liou, G. Novel aromatic poly(amine-imide)s bearing a pendent triphenylamine group: Synthesis, thermal, photophysical, electrochemical, and electrochromic characteristics Macromolecules 2005, 38, 307-316
-
(2005)
Macromolecules
, vol.38
, pp. 307-316
-
-
Cheng, S.1
Hsiao, S.2
Su, T.3
Liou, G.4
-
20
-
-
33847412680
-
Highly stable anodic green electrochromic aromatic polyamides: Synthesis and electrochromic properties
-
DOI 10.1039/b613140a
-
Chang, C.; Liou, G.; Hsiao, S. Highly stable anodic green electrochromic aromatic polyamides: Synthesis and electrochromic properties J. Mater. Chem. 2007, 17, 1007-1015 (Pubitemid 46339457)
-
(2007)
Journal of Materials Chemistry
, vol.17
, Issue.10
, pp. 1007-1015
-
-
Chang, C.-W.1
Liou, G.-S.2
Hsiao, S.-H.3
-
21
-
-
0033214922
-
Liquid-phase synthesis of 2-(alkylthio)benzimidazoles
-
Yeh, C.; Sun, C. Liquid-phase synthesis of 2-(alkylthio)benzimidazoles Tetrahedron Lett. 1999, 40, 7247-7250
-
(1999)
Tetrahedron Lett.
, vol.40
, pp. 7247-7250
-
-
Yeh, C.1
Sun, C.2
-
22
-
-
0033595867
-
A solid phase traceless synthesis of benzimidazoles with three combinatorial steps
-
Smith, J. M.; Krchnak, V. A solid phase traceless synthesis of benzimidazoles with three combinatorial steps Tetrahedron Lett. 1999, 40, 7633-7636
-
(1999)
Tetrahedron Lett.
, vol.40
, pp. 7633-7636
-
-
Smith, J.M.1
Krchnak, V.2
-
23
-
-
0035951929
-
A solid phase traceless synthesis of 2-arylaminobenzimidazoles
-
Krchnak, V.; Smith, J. M.; Vágner, J. A solid phase traceless synthesis of 2-arylaminobenzimidazoles Tetrahedron Lett. 2001, 42, 1627-1630
-
(2001)
Tetrahedron Lett.
, vol.42
, pp. 1627-1630
-
-
Krchnak, V.1
Smith, J.M.2
Vágner, J.3
-
24
-
-
0034622308
-
Practical synthesis of 1,3-diaryl-5-alkylpyrazoles by a highly regioselective N-arylation of 3,5-disubstituted pyrazoles with 4-fluoronitrobenzene
-
Wang, X.; Tan, J.; Grozinger, K.; Betageri, R.; Kirraneb, T.; Proudfoot, J. R. Practical synthesis of 1,3-diaryl-5-alkylpyrazoles by a highly regioselective N-arylation of 3,5-disubstituted pyrazoles with 4-fluoronitrobenzene Tetrahedron Lett. 2000, 41, 5321-5324
-
(2000)
Tetrahedron Lett.
, vol.41
, pp. 5321-5324
-
-
Wang, X.1
Tan, J.2
Grozinger, K.3
Betageri, R.4
Kirraneb, T.5
Proudfoot, J.R.6
-
25
-
-
33947392598
-
Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; 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
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
Gomes, J.R.B.3
-
26
-
-
33845593379
-
Experimental and computational study on the thermochemistry of bromoanilines
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Experimental and computational study on the thermochemistry of bromoanilines Bull. Chem. Soc. Jpn. 2006, 79, 1852-1859
-
(2006)
Bull. Chem. Soc. Jpn.
, vol.79
, pp. 1852-1859
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
Gomes, J.R.B.3
-
27
-
-
22944448963
-
Experimental and computational investigation of the energetics of the three isomers of monochloroaniline
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Experimental and computational investigation of the energetics of the three isomers of monochloroaniline J. Phys. Chem. B 2005, 109, 13356-13362
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 13356-13362
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
Gomes, J.R.B.3
-
28
-
-
38349118819
-
Combined experimental and computational thermochemistry of isomers of chloronitroanilines
-
Ribeiro da Silva, M. A. V.; Lima, L. M. S. S.; Moreno, A. R. G.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Combined experimental and computational thermochemistry of isomers of chloronitroanilines J. Chem. Thermodyn. 2008, 40, 155-165
-
(2008)
J. Chem. Thermodyn.
, vol.40
, pp. 155-165
-
-
Ribeiro Da Silva, M.A.V.1
Lima, L.M.S.S.2
Moreno, A.R.G.3
Lobo Ferreira, A.I.M.C.4
Gomes, J.R.B.5
-
29
-
-
67649210767
-
Experimental thermochemical study of 2,5-and 2,6-dichloro-4-nitroanilines
-
Ribeiro da Silva, M. A. V.; Ribeiro da Silva, M. D. M. C.; Lobo Ferreira, A. I. M. C.; Santos, A. F. L. O. M.; Galvão, T. L. P. Experimental thermochemical study of 2,5-and 2,6-dichloro-4-nitroanilines J. Chem. Thermodyn. 2009, 41, 1074-1080
-
(2009)
J. Chem. Thermodyn.
, vol.41
, pp. 1074-1080
-
-
Ribeiro Da Silva, M.A.V.1
Ribeiro Da Silva, M.D.M.C.2
Lobo Ferreira, A.I.M.C.3
Santos, A.F.L.O.M.4
Galvão, T.L.P.5
-
30
-
-
69049117159
-
Experimental thermochemical study of 4,5-dichloro-2-nitroaniline
-
Ribeiro da Silva, M. A. V.; Ribeiro da Silva, M. D. M. C.; Lobo Ferreira, A. I. M. C.; Santos, A. F. L. O. M.; Galvão, T. L. P. Experimental thermochemical study of 4,5-dichloro-2-nitroaniline J. Chem. Thermodyn. 2009, 41, 1247-1253
-
(2009)
J. Chem. Thermodyn.
, vol.41
, pp. 1247-1253
-
-
Ribeiro Da Silva, M.A.V.1
Ribeiro Da Silva, M.D.M.C.2
Lobo Ferreira, A.I.M.C.3
Santos, A.F.L.O.M.4
Galvão, T.L.P.5
-
31
-
-
56649111227
-
Experimental thermochemical study of the monochloronitrobenzene isomers
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Moreno, A. R. G. Experimental thermochemical study of the monochloronitrobenzene isomers J. Chem. Thermodyn. 2009, 41, 109-114
-
(2009)
J. Chem. Thermodyn.
, vol.41
, pp. 109-114
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
Moreno, A.R.G.3
-
32
-
-
71549168002
-
Thermochemical study of the monobromonitrobenzene isomers
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Santos, A. F. L. O. M.; Rocha, I. M. Thermochemical study of the monobromonitrobenzene isomers J. Chem. Thermodyn. 2010, 42, 169-176
-
(2010)
J. Chem. Thermodyn.
, vol.42
, pp. 169-176
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
Santos, A.F.L.O.M.3
Rocha, I.M.4
-
33
-
-
70349679116
-
Experimental and computational thermochemical study of the three monofluorophenol isomers
-
Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C. Experimental and computational thermochemical study of the three monofluorophenol isomers J. Chem. Eng. Data 2009, 54, 2517-2526
-
(2009)
J. Chem. Eng. Data
, vol.54
, pp. 2517-2526
-
-
Ribeiro Da Silva, M.A.V.1
Lobo Ferreira, A.I.M.C.2
-
35
-
-
33645523809
-
New static apparatus and vapor pressure of reference materials: Naphthalene, benzoic acid, benzophenone, and ferrocene
-
Monte, M. J. S.; Santos, L. M. N. B. F.; Fulem, M.; Fonseca, J. M. S.; Sousa, C. A. D. New static apparatus and vapor pressure of reference materials: naphthalene, benzoic acid, benzophenone, and ferrocene J. Chem. Eng. Data 2006, 51, 757-766
-
(2006)
J. Chem. Eng. Data
, vol.51
, pp. 757-766
-
-
Monte, M.J.S.1
Santos, L.M.N.B.F.2
Fulem, M.3
Fonseca, J.M.S.4
Sousa, C.A.D.5
-
37
-
-
70349703845
-
Basic principles of combustion calorimetry. in
-
Eds.; Pergamon: Oxford,; Vol., pp-34
-
Sunner, S. Basic principles of combustion calorimetry. In Experimental Chemical Thermodynamics; Sunner, S.; MÃnsson, M., Eds.; Pergamon: Oxford, 1979; Vol. 1, pp 14-34.
-
(1979)
Experimental Chemical Thermodynamics
, vol.1
, pp. 14
-
-
Sunner, S.1
Sunner, S.2
Mãnsson, M.3
-
38
-
-
77953426591
-
-
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
-
39
-
-
77953467014
-
-
M.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)
-
-
Silva, A.M.R.O.A.1
-
40
-
-
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.; Lima, L. M. S. S.; Amaral, L. M. P. F.; Lobo Ferreira, A. I. M. C.; 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
-
-
Ribeiro Da Silva, M.A.V.1
Lima, L.M.S.S.2
Amaral, L.M.P.F.3
Lobo Ferreira, A.I.M.C.4
Gomes, J.R.B.5
-
41
-
-
77953444206
-
-
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
-
42
-
-
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
-
44
-
-
0037618693
-
Calibration of calorimeters for reactions in a bomb at constant volume. in
-
Ed.; Interscience: New York,; Vol., pp-58
-
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)
Experimental Thermochemistry
, vol.1
, pp. 27
-
-
Coops, J.1
Jessup, R.S.2
Van Nes, K.3
Rossini, F.D.4
-
45
-
-
77953375519
-
-
University of Porto. Private communication
-
Oliveira, J. F. R. C., University of Porto. Private communication, 2008.
-
(2008)
-
-
Oliveira, J.F.R.C.1
-
47
-
-
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
-
49
-
-
0000277010
-
The NBS tables of chemical thermodynamic properties
-
Suppl
-
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.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
-
50
-
-
33947376767
-
Combustion in a bomb of organic fluorine compounds. in
-
Ed.; Interscience: New York,; Vol., pp-39
-
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)
Experimental Thermochemistry
, vol.2
, pp. 15
-
-
Good, W.D.1
Scott, D.W.2
Skinner, H.A.3
-
51
-
-
0003075914
-
Standard states and corrections for combustions in a bomb at constant volume
-
In;, Ed.; Interscience: New York,; Vol., pp-128
-
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
-
-
Hubbard, W.N.1
Scott, D.W.2
Waddington, G.3
Rossini, F.D.4
-
52
-
-
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
-
54
-
-
70449565208
-
Energetic studies and phase diagram of thioxanthene
-
Freitas, V. L. S.; Monte, M. J. S.; Santos, L. M. N. B. F.; Gomes, J. R. B.; Ribeiro da Silva, M. D. M. C. Energetic studies and phase diagram of thioxanthene J. Phys. Chem. A 2009, 113, 12988-12994
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 12988-12994
-
-
Freitas, V.L.S.1
Monte, M.J.S.2
Santos, L.M.N.B.F.3
Gomes, J.R.B.4
Ribeiro Da Silva, M.D.M.C.5
-
55
-
-
0038626673
-
-
revision C.01; Gaussian, Inc: Wallingford CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A. J.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 03, revision C.01; Gaussian, Inc: Wallingford CT, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.J.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
56
-
-
0000543185
-
Gaussian-3 theory using density functional geometries and zero-point energies
-
Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. Gaussian-3 theory using density functional geometries and zero-point energies J. Chem. Phys. 1999, 110, 7650-7657
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7650-7657
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
57
-
-
0001586585
-
Gaussian-3 theory using reduced Møller-Plesset order
-
Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Rassolov, V.; Pople, J. A. Gaussian-3 theory using reduced MÃ̧ller-Plesset order J. Chem. Phys. 1999, 110, 4703-4709 (Pubitemid 129615733)
-
(1999)
Journal of Chemical Physics
, vol.110
, Issue.10
, pp. 4703-4709
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Rassolov, V.4
Pople, J.A.5
-
58
-
-
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
-
59
-
-
33751157732
-
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields J. Phys. Chem. 1994, 98, 11623-11627
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
60
-
-
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
-
61
-
-
0012154673
-
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. Gaussian-3 (G3) theory for molecules containing first and second-row atoms J. Chem. Phys. 1998, 109, 7764-7776
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764-7776
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
63
-
-
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
-
64
-
-
0002754020
-
Assignment of uncertainties to thermochemical data
-
In;, Ed.; Interscience: New York,; Vol., pp-320
-
Rossini, F. D. Assignment of uncertainties to thermochemical data. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, pp 297-320.
-
(1956)
Experimental Thermochemistry
, vol.1
, pp. 297
-
-
Rossini, F.D.1
Rossini, F.D.2
-
65
-
-
21744454317
-
Assignment of uncertainties. in
-
Eds.; Pergamon: Oxford,; Vol., pp-161
-
Olofsson, G. Assignment of uncertainties. In Experimental Chemical Thermodynamics; Sunner, S.; MÃnsson, M., Eds.; Pergamon: Oxford, 1979; Vol. 1, pp 137-161.
-
(1979)
Experimental Chemical Thermodynamics
, vol.1
, pp. 137
-
-
Olofsson, G.1
Sunner, S.2
Mãnsson, M.3
-
66
-
-
37049134396
-
Evaluation of thermodynamic functions from equilibrium constants
-
Clarke, E. C. W.; Glew, D. N. Evaluation of thermodynamic functions from equilibrium constants Trans. Faraday Soc. 1966, 62, 539-547
-
(1966)
Trans. Faraday Soc.
, vol.62
, pp. 539-547
-
-
Clarke, E.C.W.1
Glew, D.N.2
-
67
-
-
75449096612
-
Thermodynamic study on the sublimation of five aminomethoxybenzoic acids
-
Monte, M. J. S.; Almeida, A. R. R. P.; Matos, M. A. R. Thermodynamic study on the sublimation of five aminomethoxybenzoic acids J. Chem. Eng. Data 2010, 55, 419-423
-
(2010)
J. Chem. Eng. Data
, vol.55
, pp. 419-423
-
-
Monte, M.J.S.1
Almeida, A.R.R.P.2
Matos, M.A.R.3
-
68
-
-
34250082503
-
Heat capacity corrections to a standard state: A comparison of new and some literature methods for organic liquids and solids
-
Chickos, J. S.; Hosseini, S.; Hesse, D. G.; Liebman, J. F. Heat capacity corrections to a standard state: A comparison of new and some literature methods for organic liquids and solids Struct. Chem. 1993, 4, 271-278
-
(1993)
Struct. Chem.
, vol.4
, pp. 271-278
-
-
Chickos, J.S.1
Hosseini, S.2
Hesse, D.G.3
Liebman, J.F.4
-
69
-
-
71249129138
-
Estimation of the thermodynamic properties of C-H-N-O-S-halogen compounds at 298.15 K
-
Domalski, E. S.; Hearing, E. D. Estimation of the thermodynamic properties of C-H-N-O-S-halogen compounds at 298.15 K J. Phys. Chem. Ref. Data 1993, 22, 805-1159
-
(1993)
J. Phys. Chem. Ref. Data
, vol.22
, pp. 805-1159
-
-
Domalski, E.S.1
Hearing, E.D.2
-
70
-
-
11744252033
-
Additivity rules for the estimation of molecular properties. Thermodynamic properties
-
Benson, S. W.; Buss, J. H. Additivity rules for the estimation of molecular properties. Thermodynamic properties J. Chem. Phys. 1958, 29, 546-572
-
(1958)
J. Chem. Phys.
, vol.29
, pp. 546-572
-
-
Benson, S.W.1
Buss, J.H.2
-
72
-
-
0042729359
-
Appearance of two intramolecular charge transfer absorptions observed with some disubstituted benzenes
-
Tanaka, J.; Nagakura, S. Appearance of two intramolecular charge transfer absorptions observed with some disubstituted benzenes J. Chem. Phys. 1956, 24, 1274-1275
-
(1956)
J. Chem. Phys.
, vol.24
, pp. 1274-1275
-
-
Tanaka, J.1
Nagakura, S.2
-
74
-
-
0033575204
-
2 in nitroaromatics: Nitrobenzene o-monofluoro-and o, o '-difluoro-nitrobenzenes
-
2 in nitroaromatics: Nitrobenzene o-monofluoro-and o, o '-difluoro-nitrobenzenes THEOCHEM 1999, 467, 181-186
-
(1999)
THEOCHEM
, vol.467
, pp. 181-186
-
-
Staikova, M.1
Csizmadia, I.G.2
-
75
-
-
53949095863
-
Substituent effect on electronic structures of halonitrobenzenes
-
Ge, M.; Yao, L. Substituent effect on electronic structures of halonitrobenzenes Spectrochim. Acta 2008, A71, 1499-1502
-
(2008)
Spectrochim. Acta
, vol.71
, pp. 1499-1502
-
-
Ge, M.1
Yao, L.2
-
76
-
-
0001839083
-
Equilibrium configuration and barriers of four fluorine substituted nitrobenzenes, obtained by microwave spectroscopy
-
Correll, T.; Larsen, N. W.; Pedersen, T. Equilibrium configuration and barriers of four fluorine substituted nitrobenzenes, obtained by microwave spectroscopy J. Mol. Struct. 1980, 65, 43-49
-
(1980)
J. Mol. Struct.
, vol.65
, pp. 43-49
-
-
Correll, T.1
Larsen, N.W.2
Pedersen, T.3
-
77
-
-
1642496891
-
Molecular structure of ortho-fluoronitrobenzene studied by gas electron diffraction and ab initio MO calculations
-
Shishkov, I. F.; Khristenko, L. V.; Vilkov, L. V.; Samdal, S.; Gundersen, S. Molecular structure of ortho-fluoronitrobenzene studied by gas electron diffraction and ab initio MO calculations Struct. Chem. 2003, 14, 151-157
-
(2003)
Struct. Chem.
, vol.14
, pp. 151-157
-
-
Shishkov, I.F.1
Khristenko, L.V.2
Vilkov, L.V.3
Samdal, S.4
Gundersen, S.5
-
78
-
-
1642454224
-
Electronographic study of structure of molecule of o-chloronitrobenzene in gaseous phase
-
Batyukhnova, O. G.; Sadova, N. I.; Vilkov, L. V.; Pankrushev, Yu. A. Electronographic study of structure of molecule of o-chloronitrobenzene in gaseous phase Zh. Struct. Khim. 1985, 26, 175-178
-
(1985)
Zh. Struct. Khim.
, vol.26
, pp. 175-178
-
-
Batyukhnova, O.G.1
Sadova, N.I.2
Vilkov, L.V.3
Pankrushev, Yu.A.4
-
79
-
-
0010622795
-
Electron-diffraction investigation of the structure of o-bromonitrobenzene, m-bromonitrobenzene, and 2,6-dinitrobromobenzene molecules in the gas phase
-
Batyukhnova, O. G.; Sadova, N. I.; Syshchikov, Yu. N.; Vilkov, L. V.; Pankrushev, Yu. A. Electron-diffraction investigation of the structure of o-bromonitrobenzene, m-bromonitrobenzene, and 2,6-dinitrobromobenzene molecules in the gas phase Zh. Struct. Khim. 1988, 29, 53-63
-
(1988)
Zh. Struct. Khim.
, vol.29
, pp. 53-63
-
-
Batyukhnova, O.G.1
Sadova, N.I.2
Syshchikov, Yu.N.3
Vilkov, L.V.4
Pankrushev, Yu.A.5
-
80
-
-
0001366851
-
The molecular structure of ortho-and meta-iodonitrobenzene in the gaseous state as determined by the electron diffraction method. General trends in the bond lengths and STO-3G* ab initio calculations on iodonitrobenzenes
-
Samdal, S.; Vilkov, L. V.; Volden, H. V. The molecular structure of ortho-and meta-iodonitrobenzene in the gaseous state as determined by the electron diffraction method. General trends in the bond lengths and STO-3G* ab initio calculations on iodonitrobenzenes Acta Chem. Scand. 1992, 42, 712-719
-
(1992)
Acta Chem. Scand.
, vol.42
, pp. 712-719
-
-
Samdal, S.1
Vilkov, L.V.2
Volden, H.V.3
-
81
-
-
1942489217
-
Electron diffraction study of meta-and para-fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon-halogen bond length found in ortho-, meta-and para-halonitrobenzenes (Halo = F, Cl, Br, I)
-
Shishkov, I. F.; Khristenko, L. V.; Samdal, S.; Gundersen, S.; Volden, H. V.; Vilkov, L. V. Electron diffraction study of meta-and para- fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon-halogen bond length found in ortho-, meta-and para-halonitrobenzenes (Halo = F, Cl, Br, I) J. Mol. Struct. 2004, 693, 133-140
-
(2004)
J. Mol. Struct.
, vol.693
, pp. 133-140
-
-
Shishkov, I.F.1
Khristenko, L.V.2
Samdal, S.3
Gundersen, S.4
Volden, H.V.5
Vilkov, L.V.6
-
82
-
-
0000626886
-
NIST-JANAF Thermochemical Tables, Fourth Edition, Monograph 9
-
Chase, M. W., Jr. NIST-JANAF Thermochemical Tables, Fourth Edition, Monograph 9 J. Phys. Chem. Ref. Data, 1998
-
(1998)
J. Phys. Chem. Ref. Data
-
-
Chase Jr., M.W.1
-
84
-
-
0343383284
-
The electronic structure of substituted benzenes; Ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes
-
Palmer, M. H.; Moyes, W.; Spiers, M.; Neil, J.; Ridyard, A. The electronic structure of substituted benzenes; Ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes J. Mol. Struct. 1979, 55, 243-263
-
(1979)
J. Mol. Struct.
, vol.55
, pp. 243-263
-
-
Palmer, M.H.1
Moyes, W.2
Spiers, M.3
Neil, J.4
Ridyard, A.5
|