Volume 60 (2008) number 3
A special section "Numerical Methods in Chemistry" edited by Theodore E. Simos and Charalampos Tsitouras
Foreword
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C. Tsitouras, I. T. Famelis: Quadratic SDIRK Pair for Treating Chemical Reaction Problems, pp. 697-710
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H. Van de Vyver: Effcient One-Step Methods for the Schroedinger Equation, pp. 711-732
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Z. A. Anastassi, T. E. Simos: New Trigonometrically Fitted Six-Step Symmetric Methods for the Effcient Solution of the Schroedinger Equation, pp. 733-752
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T. V. Triantafyllidis, Z. A. Anastassi, T. E. Simos: Two Optimized Runge-Kutta Methods for the Solution of the Schroedinger Equation, pp. 753-771
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G. A. Panopoulos, Z. A. Anastassi, T. E. Simos: Two New Optimized Eight-Step Symmetric Methods for the Effcient Solution of the Schroedinger Equation and Related Problems, pp. 773-785
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T. E. Simos: Closed Newton-Cotes Trigonometrically-Fitted Formulae for the Solution of the Schroedinger Equation, pp. 787-801
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Z. A. Anastassi, T. E. Simos: A Six-Step P-stable Trigonometrically-Fitted Method for the Numerical Integration of the Radial Schroedinger Equation, pp. 803-830
Proceedings of the inaugural meeting of the European Society of Mathematical Chemistry, Cluj, October 23-26, 2007 (edited by Mircea V. Diudea)
Preface
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M. V. Diudea, C. L. Nagy: Extension of Euler Formula in Multi-Shell Polyhedra, pp. 835-844
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M. V. Putz: Maximum Hardness Index of Quantum Acid-Base Bonding, pp. 845-868
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B. Parv: The Architecture of Software Systems for Molecular Topology, pp. 869-882
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A. Iranmanesh, Y. Alizadeh: Computing Some Topological Indices by GAP Program, pp. 883-896
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A. R. Ashrafi, M. Mirzargar: The Edge Szeged Polynomial of Graphs, pp. 897-904
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A. R. Ashrafi, M. Jalali, M. Ghorbani, M. V. Diudea: Computing PI and Omega Polynomials of an Infinite Family of Fullerenes, pp. 905-916
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A. Graovac, I. Laszlo, T. Pisanski: Shape Analysis of Carbon Nanotube Junctions, pp. 917-926
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A. E. Vizitiu, M. V. Diudea: Omega and Theta Polynomials in Conical Nanostructures, pp. 927-933
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M. V. Diudea: Omega Polynomial in Twisted ((4,8)3)R Tori, pp. 935-944
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M. V. Diudea, A. E. Vizitiu, F. Gholaminezhad, A. R. Ashrafi: Omega Polynomial in Twisted (4,4) Tori, pp. 945-953
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S. Cigher, M. V. Diudea: Kekule Valence Structures for Some Families of Tu(6,3)HHt[c,n] Tubes, pp. 955-963
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S. Cigher, M. V. Diudea: Trend of Kekule Valence Structures Number in H-cut V-twisted Polyhex Tori. Relation Between Stability and Kekule Structures Count, pp. 965-976
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C. D. Moldovan, A. Costescu, G. Katona, M. V. Diudea: A Novel QSAR Approach in Modeling Antifungal Activity of Some 5- or 6-Methyl-2-substituded Benzoxazoles/Benzimidazoles Against C. albicans Using Molecular Descriptors, pp. 977-984
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B. Tiperciuc, V. Zaharia, R. Campean, M. Curticapean, A. Costescu, M. V. Diudea: A QSAR Study on Antimicrobial Activity of Some New Sulfonylhydrazinothiazoles, pp. 985-996
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S. Funar-Timofei, S. Iliescu: QSPR Study of Phosphoric Polyester Glass Transition Temperature by PLS, pp. 997-1005
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C. Onisor, D. Kovala-Demertzi, M. A. Demertzis, C. Sarbu, M. V. Diudea: QSPR Modeling of Molecular Lipophilicity of Some Formyland Acetylpyridine-3-thio-semicarbazones by Topological Descriptors, pp. 1007-1020
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S. D. Bolboaca, L. Jantschi: Modelling Analysis of Amino Acids Hydrophobicity, pp. 1021-1032