-
2
-
-
85088329512
-
Mechanism of substitution at a saturated carbon atom. Part IV, a discussion of constitutional and solvent effects on the mechanism, kinetics, velocity and orientation of substitution
-
Hughes ED, Ingold CK. Mechanism of substitution at a saturated carbon atom. Part IV, a discussion of constitutional and solvent effects on the mechanism, kinetics, velocity and orientation of substitution. J of the Chem Soc. 1935;806-809.
-
(1935)
J of the Chem Soc
, pp. 806-809
-
-
Hughes, E.D.1
Ingold, C.K.2
-
3
-
-
37049144210
-
Mechanism and kinetics of substitution at a saturated carbon atom
-
Hughes ED, Ingold CK. Mechanism and kinetics of substitution at a saturated carbon atom. Trans of the Faraday Society. 1941;37:603-657.
-
(1941)
Trans of the Faraday Society
, vol.37
, pp. 603-657
-
-
Hughes, E.D.1
Ingold, C.K.2
-
4
-
-
0038649520
-
-
Achenie LEK, Gani R, Venkatasubramanian V, ed, Amsterdam: Elsevier Science;
-
Achenie LEK, Gani R, Venkatasubramanian V, (ed). Computer-Aided Molecular Design: Theory and Practice. Amsterdam: Elsevier Science; 2002.
-
(2002)
Computer-Aided Molecular Design: Theory and Practice
-
-
-
5
-
-
0020835029
-
Molecular design of solvents for liquid extraction based on UNIFAC
-
Gani R, Brignole EA. Molecular design of solvents for liquid extraction based on UNIFAC. Fluid Phase Equilibria. 1983:13:331-340.
-
(1983)
Fluid Phase Equilibria
, vol.13
, pp. 331-340
-
-
Gani, R.1
Brignole, E.A.2
-
6
-
-
37049142631
-
E reactions. J of the Chem Soc
-
E reactions. J of the Chem Soc -Perkin Trans II. 1972;1343-1357.
-
(1972)
Perkin Trans
, vol.2
, pp. 1343-1357
-
-
Abraham, M.H.1
-
7
-
-
0001270763
-
Linear solvation energy relationships. 15. Heterolytic decomposition of the text-Butyl halides
-
Abraham MH, Doherty RM, Kamlet MJ, Harris JM, Taft RW. Linear solvation energy relationships. 15. Heterolytic decomposition of the text-Butyl halides. The J of Organic Chemistry. 1981;46:3053-3056.
-
(1981)
The J of Organic Chemistry
, vol.46
, pp. 3053-3056
-
-
Abraham, M.H.1
Doherty, R.M.2
Kamlet, M.J.3
Harris, J.M.4
Taft, R.W.5
-
8
-
-
37049076695
-
-
Abraham MH, Doherty RM, Kamlet MJ, Harris JM, Taft RW. Linear solvation energy relationships. Part 37. An analysis of contributions of dipolarity-polarisability, nucleophilic assistance, electrophilic assistance, and cavity terms to solvent effects on t-Butyl halide solvolysis rates. J of the Chem Soc - Perkin Trans II. 1987;913-920.
-
Abraham MH, Doherty RM, Kamlet MJ, Harris JM, Taft RW. Linear solvation energy relationships. Part 37. An analysis of contributions of dipolarity-polarisability, nucleophilic assistance, electrophilic assistance, and cavity terms to solvent effects on t-Butyl halide solvolysis rates. J of the Chem Soc - Perkin Trans II. 1987;913-920.
-
-
-
-
12
-
-
9744269503
-
The design of solvents for optimal reaction rates
-
Barbosa A, Matos H, Amsterdam: Elsevier Science;
-
Folie M, Adjiman CS, Pistikopoulos EN. The design of solvents for optimal reaction rates. In: Barbosa A, Matos H. Computer-Aided Chemical Engineering. Amsterdam: Elsevier Science; 2004;18:175-181.
-
(2004)
Computer-Aided Chemical Engineering
, vol.18
, pp. 175-181
-
-
Folie, M.1
Adjiman, C.S.2
Pistikopoulos, E.N.3
-
13
-
-
34248522388
-
A computer-aided methodology for optimal solvent design for reactions with experimental verification
-
Puigjaner L, Amsterdam: Elsevier Science;
-
Folić M, Adjiman CS, Pistikopoulos EN. A computer-aided methodology for optimal solvent design for reactions with experimental verification. In: Puigjaner L. Computer-Aided Chemical Engineering. Amsterdam: Elsevier Science; 2005;20B:1651-1657.
-
(2005)
Computer-Aided Chemical Engineering
, vol.20 B
, pp. 1651-1657
-
-
Folić, M.1
Adjiman, C.S.2
Pistikopoulos, E.N.3
-
14
-
-
84985266925
-
T-Lösungs-mittepolaritässkala mit Hilfe eines Lipophilen Penta-tert-butyl-substituierten Pyridinium-N-phenolat- betainfarbstoffes
-
T-Lösungs-mittepolaritässkala mit Hilfe eines Lipophilen Penta-tert-butyl-substituierten Pyridinium-N-phenolat- betainfarbstoffes. Liebigs Annalen der Chemie. 1983;5:721-743.
-
(1983)
Liebigs Annalen der Chemie
, vol.5
, pp. 721-743
-
-
Reichardt, C.1
Harbusch-Görnert, E.2
-
15
-
-
84942702716
-
-
Abraham MH, Doherty RM, Kamlet MJ, Harris JM, Taft RW. Linear solvation energy relationships. Part 38. An analysis of the use of solvent parameters in the correlation of the rate constants, with special reference to the solvolysis of t-Butyl chloride. J of the Chem Soc - Perkin Trans II. 1987;1097-1101.
-
Abraham MH, Doherty RM, Kamlet MJ, Harris JM, Taft RW. Linear solvation energy relationships. Part 38. An analysis of the use of solvent parameters in the correlation of the rate constants, with special reference to the solvolysis of t-Butyl chloride. J of the Chem Soc - Perkin Trans II. 1987;1097-1101.
-
-
-
-
16
-
-
37049069288
-
Substitution at saturated carbon. Part 26. A complete analysis of solvent effects on initial states for the solvolysis of the t-butyl halides in terms of G, H and S using the unified method. J of the Chem Soc
-
Abraham MH, Grellier PL, Nasehzadeh A, Walker RAC. Substitution at saturated carbon. Part 26. A complete analysis of solvent effects on initial states for the solvolysis of the t-butyl halides in terms of G, H and S using the unified method. J of the Chem Soc -Perkin Trans II. 1988;1717-1724.
-
(1988)
Perkin Trans
, vol.2
, pp. 1717-1724
-
-
Abraham, M.H.1
Grellier, P.L.2
Nasehzadeh, A.3
Walker, R.A.C.4
-
17
-
-
33847800055
-
The solvatochromic comparison method. I. The β-scale of solvent hydrogen-bond acceptor (HBA) basicities
-
Kamlet MJ, Taft RW. The solvatochromic comparison method. I. The β-scale of solvent hydrogen-bond acceptor (HBA) basicities. J of the A Chem Soc 1976;98:377-383.
-
(1976)
J of the A Chem Soc
, vol.98
, pp. 377-383
-
-
Kamlet, M.J.1
Taft, R.W.2
-
18
-
-
33847797571
-
The solvatochromic comparison method. 2. The α-scale of solvent hydrogen-bond donor (HBD) acidities
-
Kamlet MJ, Taft RW. The solvatochromic comparison method. 2. The α-scale of solvent hydrogen-bond donor (HBD) acidities. J of the A Chem Soc 1976;98:2886-2894.
-
(1976)
J of the A Chem Soc
, vol.98
, pp. 2886-2894
-
-
Kamlet, M.J.1
Taft, R.W.2
-
19
-
-
0039726458
-
The solvatochromic comparison method. 6. The π*-scale of solvent polarities
-
Kamlet MJ, Abboud MJ, Abraham MH, Taft RW. The solvatochromic comparison method. 6. The π*-scale of solvent polarities. J of the A Chem Soc. 1977;99:6027-6038.
-
(1977)
J of the A Chem Soc
, vol.99
, pp. 6027-6038
-
-
Kamlet, M.J.1
Abboud, M.J.2
Abraham, M.H.3
Taft, R.W.4
-
20
-
-
33845469300
-
Solubility properties in polymers and biological media. 4. Correlation of octanol/ water partition coefficients with solvatochromic parameters
-
Kamlet MJ, Abraham MH, Doherty RM, Taft RW. Solubility properties in polymers and biological media. 4. Correlation of octanol/ water partition coefficients with solvatochromic parameters. J of the A Chem Soc 1984;106:464-466,
-
(1984)
J of the A Chem Soc
, vol.106
, pp. 464-466
-
-
Kamlet, M.J.1
Abraham, M.H.2
Doherty, R.M.3
Taft, R.W.4
-
21
-
-
0000761242
-
Linear solvation energy relationships. 29. Solution properties of some tetraalkylammonium halide ion pairs and dissociated ions
-
Taft RW, Abraham MH, Doherty RM, Kamlet MJ. Linear solvation energy relationships. 29. Solution properties of some tetraalkylammonium halide ion pairs and dissociated ions. J of the A Chem Soc. 1985;107:3105-3110.
-
(1985)
J of the A Chem Soc
, vol.107
, pp. 3105-3110
-
-
Taft, R.W.1
Abraham, M.H.2
Doherty, R.M.3
Kamlet, M.J.4
-
22
-
-
0002370338
-
-
Cativiela C, Garcia JI, Gil J, Martinez RM, Mayoral JA, Salvatella L, Urieta JS, Mainar AM, Abraham MH. Solvent effects on Diels-Alder reactions. The use of aqueous mixtures of fluorinated alcohols and the study of reactions of acrylonitrile. J of the Chem Soc - Perkin Trans II. 1997;653-660.
-
Cativiela C, Garcia JI, Gil J, Martinez RM, Mayoral JA, Salvatella L, Urieta JS, Mainar AM, Abraham MH. Solvent effects on Diels-Alder reactions. The use of aqueous mixtures of fluorinated alcohols and the study of reactions of acrylonitrile. J of the Chem Soc - Perkin Trans II. 1997;653-660.
-
-
-
-
23
-
-
0039742787
-
Solvation of gaseous non-electrolytes
-
Abraham MH, Grellier PL, Hamerton I, McGill RA, Prior DV, Whiting GS. Solvation of gaseous non-electrolytes. Faraday Discussions of the Chemical Society. 1988;85:101-115.
-
(1988)
Faraday Discussions of the Chemical Society
, vol.85
, pp. 101-115
-
-
Abraham, M.H.1
Grellier, P.L.2
Hamerton, I.3
McGill, R.A.4
Prior, D.V.5
Whiting, G.S.6
-
24
-
-
0036934188
-
-
Zissimos AM, Abraham MH, Du CM, Valko K, Bevan C, Reynolds D, Wood J, Tam KY. Calculation of Abraham descriptors from experimental data from seven HPLC systems; Evaluation of five different methods of calculation. J of the Chem Soc - Perkin Trans II. 2002;2001-2010.
-
Zissimos AM, Abraham MH, Du CM, Valko K, Bevan C, Reynolds D, Wood J, Tam KY. Calculation of Abraham descriptors from experimental data from seven HPLC systems; Evaluation of five different methods of calculation. J of the Chem Soc - Perkin Trans II. 2002;2001-2010.
-
-
-
-
25
-
-
0032557286
-
Universal reaction field model based on ab initio Hartree-Fock theory
-
Li J, Hawkins D, Cramer CJ, Truhlar DG. Universal reaction field model based on ab initio Hartree-Fock theory. Chem Phys Letts. 1998;288:293-298.
-
(1998)
Chem Phys Letts
, vol.288
, pp. 293-298
-
-
Li, J.1
Hawkins, D.2
Cramer, C.J.3
Truhlar, D.G.4
-
26
-
-
8344287104
-
Correlation of rate constants for the solvolysis of tert-butyl halides, effect of temperature
-
Gonçalves RMC, Simões AMN, Leitão RASE, Albuquerque LMPC. Correlation of rate constants for the solvolysis of tert-butyl halides, effect of temperature. J of Chem Res (S). 1992;330-331.
-
(1992)
J of Chem Res (S)
, pp. 330-331
-
-
Gonçalves, R.M.C.1
Simões, A.M.N.2
Leitão, R.A.S.E.3
Albuquerque, L.M.P.C.4
-
27
-
-
0012200157
-
Application of multiparameteric equations and factor analysis to the solvolytic reactions of tert-alkyl halides
-
Albuquerque LMPC, Moita MLCJ, Gonçalves RMC. Application of multiparameteric equations and factor analysis to the solvolytic reactions of tert-alkyl halides. J of Phys Organic Chem. 2001;14:139-145.
-
(2001)
J of Phys Organic Chem
, vol.14
, pp. 139-145
-
-
Albuquerque, L.M.P.C.1
Moita, M.L.C.J.2
Gonçalves, R.M.C.3
-
28
-
-
0036925407
-
Kinetics and mechanism of monomolecular heterolysis of commercial organohalogen compounds: XXIX. Solvent effects on the activation parameters of heterolysis of tert-butyl chloride
-
Dvorko GF, Zaliznyi VV, Ponomarev NE. Kinetics and mechanism of monomolecular heterolysis of commercial organohalogen compounds: XXIX. Solvent effects on the activation parameters of heterolysis of tert-butyl chloride. Russian J of Gen Chem 2002;72:1414-1428.
-
(2002)
Russian J of Gen Chem
, vol.72
, pp. 1414-1428
-
-
Dvorko, G.F.1
Zaliznyi, V.V.2
Ponomarev, N.E.3
-
29
-
-
0036989835
-
Kinetics and mechanism of monomolecular heterolysis of commercial organohalogen compounds: XXX. Correlation analysis of solvent effects in heterolysis of tert-butyl chloride
-
Dvorko GF, Zaliznyi VV, Ponomarev NE. Kinetics and mechanism of monomolecular heterolysis of commercial organohalogen compounds: XXX. Correlation analysis of solvent effects in heterolysis of tert-butyl chloride. Russian J of Gen Chem 2002;72:1549-1555.
-
(2002)
Russian J of Gen Chem
, vol.72
, pp. 1549-1555
-
-
Dvorko, G.F.1
Zaliznyi, V.V.2
Ponomarev, N.E.3
-
30
-
-
17644382691
-
Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant
-
Sheldon TJ, Adjiman CS, Cordiner JL. Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant. Fluid Phase Equilibria. 2004;231:27-37.
-
(2004)
Fluid Phase Equilibria
, vol.231
, pp. 27-37
-
-
Sheldon, T.J.1
Adjiman, C.S.2
Cordiner, J.L.3
-
31
-
-
0029219250
-
Estimation of the accentric factor and the liquid molar volume at 298 K using a new group contribution method
-
Constantinou L, Gani R, O'Connell JP. Estimation of the accentric factor and the liquid molar volume at 298 K using a new group contribution method. Fluid Phase Equilibria. 1995;103:11-22.
-
(1995)
Fluid Phase Equilibria
, vol.103
, pp. 11-22
-
-
Constantinou, L.1
Gani, R.2
O'Connell, J.P.3
-
32
-
-
0028517402
-
New group contribution method for estimating properties of pure compounds
-
Constantinou L, Gani R. New group contribution method for estimating properties of pure compounds. AIChE J. 1994;40:1697-1710.
-
(1994)
AIChE J
, vol.40
, pp. 1697-1710
-
-
Constantinou, L.1
Gani, R.2
-
34
-
-
12044255753
-
Scales of solute hydrogen-bonding: Their construction and application to physicochemical and biochemical processes
-
Abraham MH. Scales of solute hydrogen-bonding: Their construction and application to physicochemical and biochemical processes. Chem Soc Rev. 1993;73-83.
-
(1993)
Chem Soc Rev
, pp. 73-83
-
-
Abraham, M.H.1
-
35
-
-
84987014185
-
Hydrogen bonding. 31. Construction of a scale of solute effective or summation hydrogen-bond basicity
-
Abraham MH, Hydrogen bonding. 31. Construction of a scale of solute effective or summation hydrogen-bond basicity. J of Phys Org Chem. 1993;6:660-684.
-
(1993)
J of Phys Org Chem
, vol.6
, pp. 660-684
-
-
Abraham, M.H.1
-
36
-
-
34248504465
-
-
Private Communication;
-
Abraham MH. Private Communication; 2004.
-
(2004)
-
-
Abraham, M.H.1
-
37
-
-
17644422348
-
-
Numerical Algorithms Group
-
Numerical Algorithms Group. Statistical Add-Ins for Excel, http://www.nag.co.uk; 2000.
-
(2000)
Statistical Add-Ins for Excel
-
-
-
38
-
-
0030258068
-
Optimal computer aided molecular design: A polymer design case study
-
Maranas CD. Optimal computer aided molecular design: A polymer design case study. Ind and En Chem Res 1996;35:3788-3794.
-
(1996)
Ind and En Chem Res
, vol.35
, pp. 3788-3794
-
-
Maranas, C.D.1
-
39
-
-
43949174858
-
Computer aided molecular design: A novel method for optimal solvent selection
-
Odele O, Macchietto S. Computer aided molecular design: A novel method for optimal solvent selection. Fluid Phase Equilibria. 1993;82:47-54.
-
(1993)
Fluid Phase Equilibria
, vol.82
, pp. 47-54
-
-
Odele, O.1
Macchietto, S.2
-
40
-
-
0033119522
-
Optimal design of solvent blends for environmental impact minimization
-
Buxton A, Livingston AG, Pistikopoulos EN. Optimal design of solvent blends for environmental impact minimization. AIChE J 1999;45:817-843.
-
(1999)
AIChE J
, vol.45
, pp. 817-843
-
-
Buxton, A.1
Livingston, A.G.2
Pistikopoulos, E.N.3
-
41
-
-
0035387458
-
Group-contribution based estimation of pure component properties
-
Marrero J, Gani R. Group-contribution based estimation of pure component properties. Fluid Phase Equilibria. 2001;183-184:183-208.
-
(2001)
Fluid Phase Equilibria
-
-
Marrero, J.1
Gani, R.2
-
42
-
-
34248553450
-
-
Brooke A, Kendrick D, Meeraus A, Raman R. GAMS A User's Guide. GAMS Development Corporation, http://www.gams.com, 1998.
-
Brooke A, Kendrick D, Meeraus A, Raman R. GAMS A User's Guide. GAMS Development Corporation, http://www.gams.com, 1998.
-
-
-
-
43
-
-
0004237770
-
-
Saltelli A, Chan K, Scott EM, ed, Chichester: John Wiley & Sons
-
Saltelli A, Chan K, Scott EM. (ed). Sensitivity Analysis. Chichester: John Wiley & Sons, 2000.
-
(2000)
Sensitivity Analysis
-
-
-
44
-
-
49949136136
-
On the distribution of points in a cube and the approximate evaluation of integrals
-
Sobol' IM. On the distribution of points in a cube and the approximate evaluation of integrals. Comp Maths and Mathematical Phys. 1967;7:86-112.
-
(1967)
Comp Maths and Mathematical Phys
, vol.7
, pp. 86-112
-
-
Sobol', I.M.1
-
45
-
-
49349129696
-
Uniformly distributed sequences with additional uniformity properties
-
Sobol' IM. Uniformly distributed sequences with additional uniformity properties. USSR Comp Maths and Mathematical Phys. 1976;16:236-242.
-
(1976)
USSR Comp Maths and Mathematical Phys
, vol.16
, pp. 236-242
-
-
Sobol', I.M.1
|