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Volumn 42, Issue , 2000, Pages 7-21

Prolegomenon on partial orderings in chemistry

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EID: 0008767361     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (45)

References (164)
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    • Chemical graph-theoretic cluster expansion & diamagnetic susceptibility
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    • E. A. Smolenski, "Application of the Theory of Graphs to Calculations of the Additive Structural Properties of Hydrocarbons", Russ. J. Phys. Chem. [Engl. trans.] 38 (1964) 700-702. M. Gordon & J. W. Kennedy, "The Graph-like State of Matter. Part 2 - LCGI Schemes for the thermodynamics of Alkanes and the Theory of Inductive Inference", J. Chem. Soc., Faraday Trans. II 69 (1973) 484-504. D. J. Klein & T. L. Welsher, "Cluster Expansion & Generalized Transfer Matrices for the Statistical Mechanics of Linear Chains", J. Stat. Phys. 24 (1981) 555-586. D. J. Klein, C. J. Nelin, S. Alexander, & F. A. Matsen, "High-spin Hydrocarbons", J. Chem. Phys. 77 (1982) 3101-3108. R. D. Poshusta & D. J. Klein, "Novel Ab Initio Correlated Calculations for an Infinite Chain of Hydrogen Atoms", Phys. Rev. Lett. 48 (1982) 1555-1558. W. Hässelbarth, "Orthogonal decompositions of certain finite-dimensional vector spaces", J. Math. Phys. 25 (1984) 828-832. T. G. Schmalz, T. Živković, & D. J. Klein, "Cluster Expansion of the Hückel Energy of Acyclics: Applications to Pi Resonance Energy Theory", pages 173-190 of MATH/CHEM/COMP 1987, ed. R. C. Lacher (Elsevier, Amsterdam, 1988). R. D. Poshusta, T. G. Schmalz, & D. J. Klein, "Heisenberg-model cluster expansion for half-filled Hubbard & PPP models", Mol. Phys. 66 (1989) 317-332. M. C. McHughes & R. D. Poshusta, "Graph-Theoretic Cluster Expansions, Thermochemical Properties for Alkanes", J. Math. Chem. 4 (1990) 227-249. T. G. Schmalz, "Cluster expansion of the Hubbard model energy of acyclic conjugated hydrocarbons", J. Chem. Phys. 94 (1991) 1191-1195. D. Babić & N. Trinajstić, "Resonance Energy of Conjugated Hydrocarbons Derived by Cluster Expansion", Croatica Chemica Acta 65 (1992) 881-892. T. G. Schmalz, D. J. Klein, & B. L. Sandleback, "Chemical Graph-Theoretic Cluster Expansion & Diamagnetic Susceptibility", J. Chem. Inf. & Comp. Sci. 32 (1992) 54-57. M. I. Skvortsova, I. I. Baskin, O. L. Slovokhotova, & N. S. Zefirov, "Methodology of Constructing a General Model for the Structure-Property Relationship at the topological Level", Doklady Chem. [English trans.] 336 (1994) 496-499. W. Hässelbarth, "Cluster-of-variables decomposition, a new mathematical tool for analysing structure-property relations", MatCh 31 (1994) 7-21. M. I. Skvortsova, I. V. Stankevich, I.I. Baskin, V. A. Palyulin, & N. S. Zefirov, "Analytical Description of the Set of Metric Measures of Similarity of Molecular Graphs", Doklady Akad. Nauk [English trans.] 350 (1994) 786-788. D. Babić & N. Trinajstić, "Möbius inversion on a poset of a graph and its acyclic subgraphs", Disc. Appl. Math. 67 (1996) 5-11. I. I. Baskin, M. I. Skvortsova, I. V. Stankevich, & N. S. Zefirov, "On the Basis of Invariants of Labeled Molecular Graphs", J. Chem. Inf. & Comp. Sci. 35 (1995) 527-531. D. J. Klein, T. G. Schmalz, & L. Bytautas, "Chemical Sub-Structural Cluster Expansions for Molecular Properties", SAR & QSAR Environ. Res. 10 (1999) 131-156.
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