-
1
-
-
9744283464
-
Kekulénoid addition patterns for fullerenes and some lower homologs
-
Babić D, Doslić T, Klein DJ, Misra A (2004) Kekulénoid Addition Patterns for Fullerenes and some Lower Homologs. Bull Chem Soc Japan 77:2003-2010.
-
(2004)
Bull Chem Soc Japan
, vol.77
, pp. 2003-2010
-
-
Babiv́, D.1
Dosliv́, T.2
Klein, D.J.3
Misra, A.4
-
2
-
-
0010002975
-
Reaction graphs
-
Ed. D. Bonchev & O. Mekenyan, Kluwer Academic Publishers Dordrecht
-
Balaban AT (1994) Reaction graphs. Graph Theoretical Approaches to Chemical Reactivity. Ed. D. Bonchev & O. Mekenyan, Kluwer Academic Publishers Dordrecht pp 137-180.
-
(1994)
Graph Theoretical Approaches to Chemical Reactivity
, pp. 137-180
-
-
Balaban, A.T.1
-
3
-
-
0004361637
-
The role of symmetry in synthetic analysis The concept of reflexivity
-
Bertz SH (1984) The Role of Symmetry in Synthetic Analysis. The Concept of Reflexivity. J Chem Soc Chem Commun 218-219.
-
(1984)
J Chem Soc Chem Commun
, pp. 218-219
-
-
Bertz, S.H.1
-
4
-
-
0004240874
-
Synthesis digraphs and their vulnerability the risk of failure of synthesis plans
-
Bertz SH (1986) Synthesis Digraphs and their Vulnerability The Risk of Failure of Synthesis Plans. J Chem Soc Chem Commun 1627-1628.
-
(1986)
J Chem Soc Chem Commun
, pp. 1627-1628
-
-
Bertz, S.H.1
-
5
-
-
0028330856
-
An algebraic/graphical tool to compare ecosystems with respect to their pollution - The german river elbe as an example - i. Hasse diagrams
-
Brüggemann R, Münzer B, Halfon E (1994) An Algebraic/graphical Tool to Compare Ecosystems with Respect to their Pollution - The German river Elbe as an Example - I. Hasse diagrams. Chemosphere 28:863-872.
-
(1994)
Chemosphere
, vol.28
, pp. 863-872
-
-
Brüggemann, R.1
Münzer, B.2
Halfon, E.3
-
6
-
-
0035257827
-
The use of hasse diagrams as a potential approach for inverse QSAR
-
Brüggemann R, Pudenz S, Carlsen L, Sørensen PB, Thomsen M, Mishra RK, (2001) The Use of Hasse Diagrams as a Potential Approach for Inverse QSAR. SAR and QSAR Environ Res 11:473-487.
-
(2001)
SAR and QSAR Environ Res
, vol.11
, pp. 473-487
-
-
Brüggemann, R.1
Pudenz, S.2
Carlsen, L.3
Sørensen, P.B.4
Thomsen, M.5
Mishra, R.K.6
-
7
-
-
0006860318
-
Formula periodic table for the isomer classes of acyclic hydrocarbons-enumerative and asymptotic characteristics
-
Bytautas L, Klein DJ (2000) Formula Periodic Table for the Isomer Classes of Acyclic Hydrocarbons-Enumerative and Asymptotic Characteristics. Croat Chem Acta 73:331-357.
-
(2000)
Croat Chem Acta
, vol.73
, pp. 331-357
-
-
Bytautas, L.1
Klein, D.J.2
-
8
-
-
0034038130
-
All acyclic hydrocarbons: Formula periodic table and property overlap plots via chemical combinatorics
-
Bytautas L, Klein DJ, Schmalz TG (2000) All Acyclic Hydrocarbons: Formula Periodic Table and Property Overlap Plots via Chemical Combinatorics. New J Chem 24:329-336.
-
(2000)
New J Chem
, vol.24
, pp. 329-336
-
-
Bytautas, L.1
Klein, D.J.2
Schmalz, T.G.3
-
9
-
-
0035084533
-
Partial order ranking-based qsar's: Estimation of solubilities and octanol-water partitioning
-
Carlsen L, Sørensen PB, Thomsen M (2001) Partial Order Ranking-Based QSAR's: Estimation of Solubilities and Octanol-Water Partitioning. Chemosphere 43:295-302.
-
(2001)
Chemosphere
, vol.43
, pp. 295-302
-
-
Carlsen, L.1
Sørensen, P.B.2
Thomsen, M.3
-
11
-
-
12344309369
-
Giving molecules an identity on the interplay between QSARS and partial order ranking
-
Carlsen L (2004) Giving Molecules an Identity On the Interplay between QSARs and Partial Order Ranking. Molecules 9:1010-1018.
-
(2004)
Molecules
, vol.9
, pp. 1010-1018
-
-
Carlsen, L.1
-
14
-
-
0001213634
-
A periodic table for polycyclic aromatic hydrocarbons
-
Dias JR (1985) A Periodic Table for Polycyclic Aromatic Hydrocarbons. Acc Chem Res 18:241-248.
-
(1985)
Acc Chem Res
, vol.18
, pp. 241-248
-
-
Dias, J.R.1
-
15
-
-
0002021587
-
A formula periodic table for benzenoid hydrocarbons and the aufbau and excised internal structure concepts in benzenoid enumerations
-
Dias JR (1990) A Formula Periodic Table for Benzenoid Hydrocarbons and the Aufbau and Excised Internal Structure Concepts in Benzenoid Enumerations. J Math Chem 4:17-30.
-
(1990)
J Math Chem
, vol.4
, pp. 17-30
-
-
Dias, J.R.1
-
16
-
-
0027133769
-
Redox and reduction potentials as parameters to predict the degradation pathway of chlorinated benzenes in anaerobic environments
-
Dolfing J, Harrison BK (1993) Redox and Reduction Potentials as Parameters to Predict the Degradation Pathway of Chlorinated Benzenes in Anaerobic Environments. REMS Microbiology Ecology 13:23-30.
-
(1993)
REMS Microbiology Ecology
, vol.13
, pp. 23-30
-
-
Dolfing, J.1
Harrison, B.K.2
-
17
-
-
12544255935
-
Splinoid interpolation on finete posets
-
Doslić T, Klein DJ (2005) Splinoid Interpolation on Finete Posets. J Comput Appl Math 177:175-185.
-
(2005)
J Comput Appl Math
, vol.177
, pp. 175-185
-
-
Doslić, T.1
Klein, D.J.2
-
18
-
-
0015133749
-
Molekulare selbstorganisation und evolution (self organization of matter and the evolution of biological macromolecules)
-
Eigen M (1971) Molekulare Selbstorganisation und Evolution (Self Organization of Matter and the Evolution of Biological Macromolecules). Naturwissenschaften 58:465-523.
-
(1971)
Naturwissenschaften
, vol.58
, pp. 465-523
-
-
Eigen, M.1
-
19
-
-
0017667182
-
The hyper cycle a principle of natural self organization, Part A emergence of the hyper cycle
-
Eigen M, Schuster P (1977) The Hyper Cycle A Principle of Natural Self Organization. Part A Emergence of the Hyper Cycle. Naturwissenschaften 64:541- 565.
-
(1977)
Naturwissenschaften
, vol.64
, pp. 541-565
-
-
Eigen, M.1
Schuster, P.2
-
20
-
-
0001705013
-
Systematic synthesis design yield analysis and convergency
-
Hendrickson JB (1977) Systematic Synthesis Design Yield Analysis and Convergency. J Am Chem Soc 99:5439-5450.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 5439-5450
-
-
Hendrickson, J.B.1
-
22
-
-
1842740102
-
Parameter-free structure-property correlation via progressive reaction posets for substituted benzenes
-
Ivanciuc T, Klein DJ (2004) Parameter-Free Structure-Property Correlation via Progressive Reaction Posets for Substituted Benzenes. J Chem Inf Comput Sci 44:610-617.
-
(2004)
J Chem Inf Comput Sci
, vol.44
, pp. 610-617
-
-
Ivanciuc, T.1
Klein, D.J.2
-
23
-
-
23844470694
-
Posetic quantitative superstructure/activity relationships (QSSARS) for chlorobenzenes
-
Ivanciuc T, Ivanciuc O, Klein DJ (2005) Posetic Quantitative Superstructure/Activity Relationships (QSSARs) for Chlorobenzenes. J Chem Inf Model 45: 870-879.
-
(2005)
J Chem Inf Model
, vol.45
, pp. 870-879
-
-
Ivanciuc, T.1
Ivanciuc, O.2
Klein, D.J.3
-
25
-
-
84892348261
-
Posetic cluster expansion for substitution- reaction diagrams and its application to cyclobutane
-
Submitted
-
Ivanciuc T, Klein DJ, Ivanciuc O (2005) Posetic Cluster Expansion for Substitution- Reaction Diagrams and its Application to Cyclobutane, J Math Chem, Submitted.
-
(2005)
J Math Chem
-
-
Ivanciuc, T.1
Klein, D.J.2
Ivanciuc, O.3
-
26
-
-
0002530663
-
Sur la constitution des substances aromatiques
-
Kekulé A (1865) Sur la Constitution des Substances Aromatiques. Bull Soc Chim Fr 3:98-110.
-
(1865)
Bull Soc Chim Fr
, vol.3
, pp. 98-110
-
-
Kekulé, A.1
-
27
-
-
0010871890
-
ÜBer die konstitution und untersuchung aromatischer substanzen
-
Kekulé A (1866) Über die Konstitution und Untersuchung aromatischer Substanzen. Justus Liebigs Ann Chem 137:129.
-
(1866)
Justus Liebigs Ann Chem
, vol.137
, pp. 129
-
-
Kekulé, A.1
-
28
-
-
84976859349
-
ÜBer einige condensationsproducte des aldehyds
-
Kekulé A (1872) Über einige Condensationsproducte des Aldehyds. Justus Liebigs Ann Chem 162:77-123.
-
(1872)
Justus Liebigs Ann Chem
, vol.162
, pp. 77-123
-
-
Kekulé, A.1
-
31
-
-
84987112015
-
Chemical graph-theoretic cluster expansions
-
Klein DJ (1986) Chemical Graph-Theoretic Cluster Expansions. Int J Quantum Chem 20:153-171.
-
(1986)
Int J Quantum Chem
, vol.20
, pp. 153-171
-
-
Klein, D.J.1
-
33
-
-
0009101826
-
Studj sull isomeria della cosi dette sostanze aromatiche a sei atom di carbonio
-
Körner W (1874) Studj Sull Isomeria Della Cosi Dette Sostanze Aromatiche a sei Atom di Carbonio. Gazz Chim Ital 4:305-446.
-
(1874)
Gazz Chim Ital
, vol.4
, pp. 305-446
-
-
Körner, W.1
-
34
-
-
0009174070
-
Fatti per servire alla determinazione del luogo chimico nelle sostanze aromatiche
-
Körner W (1869) Fatti per Servire Alla Determinazione Del Luogo Chimico Nelle Sostanze Aromatiche. Palermo Giornale di Sciencze Naturali ed Economiche, 5:208-256.
-
(1869)
Palermo Giornale di Sciencze Naturali Ed Economiche
, vol.5
, pp. 208-256
-
-
Körner, W.1
-
36
-
-
0000912166
-
Bemerkungen zur aromatischen theorie
-
Ladenburg A (1869) Bemerkungen zur aromatischen Theorie. Chem Ber 2:140- 142.
-
(1869)
Chem Ber
, vol.2
, pp. 140-142
-
-
Ladenburg, A.1
-
37
-
-
0001616858
-
On the relations which exist between the atomic formulas of organic compounds and the rotatory power of their solutions
-
Le Bel JA (1874) On the Relations which Exist between the Atomic Formulas of Organic Compounds and the Rotatory Power of their Solutions. Bull Soc Chim Fr 22:337.
-
(1874)
Bull Soc Chim Fr
, vol.22
, pp. 337
-
-
Le Bel, J.A.1
-
39
-
-
0000346020
-
Chemical structure - what is she
-
Randić M (1992) Chemical Structure - What is she. J Chem Ed 69:713-718.
-
(1992)
J Chem Ed
, vol.69
, pp. 713-718
-
-
Randić, M.1
-
40
-
-
0000678442
-
Graph theoretical ordering of structures as a basis for systematic searches for regularities in molecular data
-
Randić M, Wilkins CL (1979) Graph Theoretical Ordering of Structures as a Basis for Systematic Searches for Regularities in Molecular Data. J Phys Chem 83:1525-1540.
-
(1979)
J Phys Chem
, vol.83
, pp. 1525-1540
-
-
Randić, M.1
Wilkins, C.L.2
-
41
-
-
0001133979
-
On a graph-theoretical basis for the ordering of structures
-
Randić M, Wilkins CL (1979) On a Graph-Theoretical Basis for the Ordering of Structures. Chem Phys Lett 63:332-336.
-
(1979)
Chem Phys Lett
, vol.63
, pp. 332-336
-
-
Randić, M.1
Wilkins, C.L.2
-
42
-
-
84950437626
-
Hypothesis and experiment in the early development of kekulés benzene theory
-
Rocke AJ (1985) Hypothesis and Experiment in the Early Development of Kekulés Benzene Theory. Ann Sci 42:355-381.
-
(1985)
Ann Sci
, vol.42
, pp. 355-381
-
-
Rocke, A.J.1
-
43
-
-
34347166234
-
On the foundations of combinatorial theory, I: Theory of möbius functions
-
Rota GC (1964) On the Foundations of Combinatorial Theory. I: Theory of Möbius Functions. Gebiete 2:340-368.
-
(1964)
Gebiete
, vol.2
, pp. 340-368
-
-
Rota, G.C.1
-
44
-
-
0034835616
-
Partially bridgefluorinated dimethyl bicyclo[1.1.1]pentane-1, 3-dicarboxylates: Preparation and NMR spectra
-
Shtarev AB, Pinkhassik E, Levin MD, Stibor I, Michl J (2001) Partially Bridgefluorinated Dimethyl Bicyclo[1.1.1]Pentane-1, 3-Dicarboxylates: Preparation and NMR Spectra. J Am Chem Soc 123:3484-3492.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 3484-3492
-
-
Shtarev, A.B.1
Pinkhassik, E.2
Levin, M.D.3
Stibor, I.4
Michl, J.5
|