-
1
-
-
0037021091
-
Modern separation techniques for efficient workup in organic synthesis
-
Tzschucke, C. C.; Marken, C.; Bannwarth, W.; Roller, S.; Hebel, A.; Haag, R. Modern Separation Techniques for Efficient Workup in Organic Synthesis. Angew. Chem., Int. Ed. 2002, 41, 3964-4000.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 3964-4000
-
-
Tzschucke, C.C.1
Marken, C.2
Bannwarth, W.3
Roller, S.4
Hebel, A.5
Haag, R.6
-
5
-
-
0028495179
-
4, using neural networks
-
4, Using Neural Networks. J. Chem. Inf. Comput. Sci. 1994, 34, 1118-1121.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1118-1121
-
-
Balaban, A.T.1
Basak, S.C.2
Colburn, T.3
Grunwald, G.D.4
-
6
-
-
0010491456
-
Correlation of boiling points with molecular structure for chlorofluoroethanes
-
Carlton, T. S. Correlation of Boiling Points with Molecular Structure for Chlorofluoroethanes. J. Chem. Inf. Comput. Sci. 1998, 38, 158-164.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 158-164
-
-
Carlton, T.S.1
-
7
-
-
0032581634
-
Quantitative structure-property relationship study of normal boiling points for halogen-/oxygen-/sulfur-containing organic compounds using the CODESSA program
-
Ivanciuc, O.; Ivanciuc, T.; Balaban, A. T. Quantitative Structure-Property Relationship Study of Normal Boiling Points for Halogen-/Oxygen-/Sulfur-Containing Organic Compounds Using the CODESSA Program. Tetrahedron 1998, 54, 9129-9142.
-
(1998)
Tetrahedron
, vol.54
, pp. 9129-9142
-
-
Ivanciuc, O.1
Ivanciuc, T.2
Balaban, A.T.3
-
8
-
-
10044267953
-
QSPR using MOLGEN-QSPR: The example of haloalkane boiling points
-
Rücker, C.; Meringer, M.; Kerber, A. QSPR Using MOLGEN-QSPR: The Example of Haloalkane Boiling Points. J. Chem. Inf. Comput. Sci. 2004, 44, 2070-2076.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 2070-2076
-
-
Rücker, C.1
Meringer, M.2
Kerber, A.3
-
9
-
-
0001850518
-
Estimation of the properties of hydrofluorocarbons by computer neural networks
-
Gakh, A. A.; Gakh, E. G.; Sumpter, B. G.; Noid, D. W.; Trowbridge, L. D.; Harkins, D. A. Estimation of the Properties of Hydrofluorocarbons by Computer Neural Networks. J. Fluorine Chem. 1995, 73, 107-111.
-
(1995)
J. Fluorine Chem.
, vol.73
, pp. 107-111
-
-
Gakh, A.A.1
Gakh, E.G.2
Sumpter, B.G.3
Noid, D.W.4
Trowbridge, L.D.5
Harkins, D.A.6
-
10
-
-
0011591423
-
Boiling point relations in the halogenated ethane series
-
(a) Woolf, A. A. Boiling Point Relations in the Halogenated Ethane Series, J. Fluorine Chem. 1990, 50, 89-99.
-
(1990)
J. Fluorine Chem.
, vol.50
, pp. 89-99
-
-
Woolf, A.A.1
-
11
-
-
0030170775
-
Predicting boiling points of hydrofluorocarbons
-
(b) Woolf, A. A. Predicting Boiling Points of Hydrofluorocarbons. J. Fluorine Chem. 1996, 78, 151-154.
-
(1996)
J. Fluorine Chem.
, vol.78
, pp. 151-154
-
-
Woolf, A.A.1
-
12
-
-
0034948051
-
Boiling points of halogenated organic compounds
-
Horvath, A. L. Boiling Points of Halogenated Organic Compounds. Chemosphere 2001, 44, 897-905.
-
(2001)
Chemosphere
, vol.44
, pp. 897-905
-
-
Horvath, A.L.1
-
14
-
-
19644365130
-
Fluorination of Propane over Cobalt(III) trifluoride and Potassium tetrafluorocobaltate(III)
-
Burdon, J.; Gamier, L.; Powell, R. L. Fluorination of Propane over Cobalt(III) trifluoride and Potassium tetrafluorocobaltate(III). J. Chem. Soc., Perkin Trans. 2 1996, 625-631.
-
(1996)
J. Chem. Soc., Perkin Trans. 2
, pp. 625-631
-
-
Burdon, J.1
Gamier, L.2
Powell, R.L.3
-
15
-
-
9144254791
-
MOLGEN-QSPR, a software package for the study of quantitative structure - Property relationships
-
Kerber, A.; Laue, R.; Meringer, M.; Rücker, C. MOLGEN-QSPR, A Software Package for the Study of Quantitative Structure - Property Relationships. MATCH Commun. Math. Comput. Chem. 2004, 51, 187-204.
-
(2004)
MATCH Commun. Math. Comput. Chem.
, vol.51
, pp. 187-204
-
-
Kerber, A.1
Laue, R.2
Meringer, M.3
Rücker, C.4
-
16
-
-
0041037845
-
On topological indices, boiling points, and cycloalkanes
-
Rücker, G.; Rücker, C. On Topological Indices, Boiling Points, and Cycloalkanes. J. Chem. Inf. Comput. Sci. 1999, 39, 788-802.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 788-802
-
-
Rücker, G.1
Rücker, C.2
-
17
-
-
0006027738
-
Normal Boiling Points of 1,ω-Alkanedinitriles: The highest Increment in a Homologous Series
-
14b then is far too low, this compound/bp therefore was excluded, (a) Balaban, A. T.; Basak, S. C.; Mills, D. Normal Boiling Points of 1,ω-Alkanedinitriles: The highest Increment in a Homologous Series. J. Chem. Inf. Comput. Sci. 1999, 39, 769.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 769
-
-
Balaban, A.T.1
Basak, S.C.2
Mills, D.3
-
26
-
-
19644391009
-
-
(h) 30.7°C, Nappa, N. J.; Sievert, A. C., J. Fluorine Chem. 1993, 62, 111-118.
-
(1993)
J. Fluorine Chem.
, vol.62
, pp. 111-118
-
-
Nappa, N.J.1
Sievert, A.C.2
-
30
-
-
0000443217
-
Automatic enumeration of all connected subgraphs
-
(a) Rücker, G.; Rücker, C. Automatic Enumeration of All Connected Subgraphs. MATCH Commun. Math. Comput. Chem. 2000, 41, 145-149.
-
(2000)
MATCH Commun. Math. Comput. Chem.
, vol.41
, pp. 145-149
-
-
Rücker, G.1
Rücker, C.2
-
31
-
-
0035272501
-
On finding nonisomorphic connected subgraphs and distinct molecular substructures
-
(b) Rücker, G.; Rücker, C. On Finding Nonisomorphic Connected Subgraphs and Distinct Molecular Substructures. J. Chem. Inf. Comput. Sci. 2001, 41, 314-320.
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 314-320
-
-
Rücker, G.1
Rücker, C.2
-
32
-
-
0001932427
-
Normal boiling points for organic compounds: Correlation and prediction by a quantitative structure - Property relationship
-
Katritzky, A. R.; Lobanov, V. S.; Karelson, M. Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure - Property Relationship. J. Chem. Inf. Comput. Sci. 1998, 38, 28-41.
-
(1998)
J. Chem. Inf. Comput. Sci.
, vol.38
, pp. 28-41
-
-
Katritzky, A.R.1
Lobanov, V.S.2
Karelson, M.3
-
33
-
-
19644367621
-
-
note
-
cv = 5.771, N = 42.
-
-
-
-
34
-
-
85128248953
-
-
note
-
cv values.
-
-
-
-
35
-
-
0037269399
-
Atomic-level-based AI topological descriptors for structure-property correlations
-
Ren, B. Atomic-Level-Based AI Topological Descriptors for Structure-Property Correlations. J. Chem. Inf. Comput. Sci. 2003, 43, 161-169.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 161-169
-
-
Ren, B.1
-
37
-
-
0035238302
-
Overall molecular descriptors. 3. Overall zagreb indices
-
(a) Bonchev, D.; Trinajstic, N. Overall Molecular Descriptors. 3. Overall Zagreb Indices. SAR QSAR Environ. Res. 2001, 12, 213-236.
-
(2001)
SAR QSAR Environ. Res.
, vol.12
, pp. 213-236
-
-
Bonchev, D.1
Trinajstic, N.2
-
38
-
-
0034784467
-
Overall connectivity - A next generation molecular connectivity
-
(b) Bonchev, D. Overall Connectivity - A next Generation Molecular Connectivity. J. Mol. Graphics Model. 2001, 20, 65-75.
-
(2001)
J. Mol. Graphics Model.
, vol.20
, pp. 65-75
-
-
Bonchev, D.1
|