Mezey, Paul G. Molecular fragment shape variation index for functional groups and the holographic properties of electron density. (English) Zbl 1243.92059 J. Math. Chem. 50, No. 4, 926-933 (2012). MSC: 92E10 92E20 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 50, No. 4, 926--933 (2012; Zbl 1243.92059) Full Text: DOI
Mezey, Paul G. Unexpected expectation values for latent molecular properties. (English) Zbl 1243.92058 J. Math. Chem. 50, No. 4, 843-849 (2012). MSC: 92E10 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 50, No. 4, 843--849 (2012; Zbl 1243.92058) Full Text: DOI
Simon, Eva; Mezey, Paul G. Fragment shape variation index for periodicity deficiency and gradual changes of internal coordinates along linear polymers. (English) Zbl 1244.92063 J. Math. Chem. 50, No. 4, 934-941 (2012). MSC: 92E10 82D60 PDFBibTeX XMLCite \textit{E. Simon} and \textit{P. G. Mezey}, J. Math. Chem. 50, No. 4, 934--941 (2012; Zbl 1244.92063) Full Text: DOI
Antal, Zoltan; Mezey, Paul G. Molecular fragment shape variation index applied to intramolecular interaction studies. (English) Zbl 1244.92060 J. Math. Chem. 50, No. 4, 942-948 (2012). MSC: 92E10 92E99 PDFBibTeX XMLCite \textit{Z. Antal} and \textit{P. G. Mezey}, J. Math. Chem. 50, No. 4, 942--948 (2012; Zbl 1244.92060) Full Text: DOI
Arimoto, Shigeru; Spivakovsky, Mark; Yoshida, Eiji; Taylor, Keith F.; Mezey, Paul G. Proof of the Fukui conjecture via resolution of singularities and related methods. V. (English) Zbl 1262.92073 J. Math. Chem. 49, No. 8, 1700-1712 (2011). MSC: 92E10 58K05 65C20 PDFBibTeX XMLCite \textit{S. Arimoto} et al., J. Math. Chem. 49, No. 8, 1700--1712 (2011; Zbl 1262.92073) Full Text: DOI
Arimoto, Shigeru; Spivakovsky, Mark; Taylor, Keith F.; Mezey, Paul G. Proof of the Fukui conjecture via resolution of singularities and related methods. IV. (English) Zbl 1262.92072 J. Math. Chem. 48, No. 3, 776-790 (2010). MSC: 92E10 58K05 81V55 PDFBibTeX XMLCite \textit{S. Arimoto} et al., J. Math. Chem. 48, No. 3, 776--790 (2010; Zbl 1262.92072) Full Text: DOI
Mezey, Paul G. Energy relations between small and large unit cell boron-nitrogen polymer analogues of spiral graphite and nanoneedle structures. (English) Zbl 1165.92325 J. Math. Chem. 45, No. 2, 550-556 (2009). MSC: 92E10 81V55 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 45, No. 2, 550--556 (2009; Zbl 1165.92325) Full Text: DOI
Mezey, Paul G. QSAR and the ultimate molecular descriptor: The shape of electron density clouds. (English) Zbl 1187.92087 J. Math. Chem. 45, No. 2, 544-549 (2009). MSC: 92E10 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 45, No. 2, 544--549 (2009; Zbl 1187.92087) Full Text: DOI
Mezey, Paul G. Some dimension problems in molecular databases. (English) Zbl 1165.92045 J. Math. Chem. 45, No. 1, 1-6 (2009). MSC: 92E99 68P99 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 45, No. 1, 1--6 (2009; Zbl 1165.92045) Full Text: DOI
Mezey, Paul G. Charge-conserving electron density averaging for a set of nuclear configurations. (English) Zbl 1243.81240 J. Math. Chem. 44, No. 4, 1023-1032 (2008). MSC: 81V55 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 44, No. 4, 1023--1032 (2008; Zbl 1243.81240) Full Text: DOI
Mezey, Paul G. (ed.) Editorial. (English) Zbl 1288.00060 J. Math. Chem. 44, No. 4, 917-917 (2008). MSC: 00B25 81-06 PDFBibTeX XMLCite \textit{P. G. Mezey} (ed.), J. Math. Chem. 44, No. 4, 917--917 (2008; Zbl 1288.00060) Full Text: DOI
Cassam-Chenaï, Patrick; Chiaramello, Jean-Marc; Mezey, Paul G. Generalisation of a property of Hamiltonians depending linearly upon a parameter: application to a model of inert gas matrix effect on vibrational spectra. (English) Zbl 1243.81236 J. Math. Chem. 44, No. 4, 981-987 (2008). MSC: 81V55 92E99 PDFBibTeX XMLCite \textit{P. Cassam-Chenaï} et al., J. Math. Chem. 44, No. 4, 981--987 (2008; Zbl 1243.81236) Full Text: DOI
Wang, Lijie; Wang, Liqin; Arimoto, Shigeru; Mezey, Paul G. Large-scale chirality measures and general symmetry deficiency measures for functional group polyhedra of proteins. (English) Zbl 1103.92022 J. Math. Chem. 40, No. 2, 145-153 (2006). MSC: 92C40 92E10 PDFBibTeX XMLCite \textit{L. Wang} et al., J. Math. Chem. 40, No. 2, 145--153 (2006; Zbl 1103.92022) Full Text: DOI
Arimoto, Shigeru; Spivakovsky, Mark; Taylor, Keith F.; Mezey, Paul G. Proof of the Fukui conjecture via resolution of singularities and related methods. II. (English) Zbl 1075.92055 J. Math. Chem. 37, No. 2, 171-189 (2005). MSC: 92E10 14H20 81V55 15A18 PDFBibTeX XMLCite \textit{S. Arimoto} et al., J. Math. Chem. 37, No. 2, 171--189 (2005; Zbl 1075.92055) Full Text: DOI
Arimoto, Shigeru; Spivakovsky, Mark; Taylor, Keith F.; Mezey, Paul G. Proof of the Fukui conjecture via resolution of singularities and related methods. I. (English) Zbl 1068.92048 J. Math. Chem. 37, No. 1, 75-91 (2005). MSC: 92E10 81V55 14H20 PDFBibTeX XMLCite \textit{S. Arimoto} et al., J. Math. Chem. 37, No. 1, 75--91 (2005; Zbl 1068.92048) Full Text: DOI
Mezey, Paul G. (ed.) Special issue honoring Dr. Frank Harary. Part 2 of 2. (English) Zbl 0995.00519 J. Math. Chem. 30, No. 4, 349-444 (2002). MSC: 00B30 PDFBibTeX XMLCite \textit{P. G. Mezey} (ed.), J. Math. Chem. 30, No. 4, 349--444 (2002; Zbl 0995.00519) Full Text: DOI
Mezey, Paul G. (ed.) Special issue honoring Dr. Frank Harary. Part 1 of 2. (English) Zbl 0992.00070 J. Math. Chem. 30, No. 3, 247-348 (2002). MSC: 00B30 PDFBibTeX XMLCite \textit{P. G. Mezey} (ed.), J. Math. Chem. 30, No. 3, 247--348 (2002; Zbl 0992.00070) Full Text: DOI
Frolov, A.; Jako, E.; Mezey, P. G. Metric properties of factor space of molecular shapes. (English) Zbl 1003.92035 J. Math. Chem. 30, No. 4, 411-428 (2002). MSC: 92E10 06E30 81V55 PDFBibTeX XMLCite \textit{A. Frolov} et al., J. Math. Chem. 30, No. 4, 411--428 (2002; Zbl 1003.92035) Full Text: DOI
Frolov, A.; Jako, E.; Mezey, P. G. Logical models of molecular shapes and their families. (English) Zbl 1003.92034 J. Math. Chem. 30, No. 4, 389-409 (2002). MSC: 92E10 81V55 06E30 PDFBibTeX XMLCite \textit{A. Frolov} et al., J. Math. Chem. 30, No. 4, 389--409 (2002; Zbl 1003.92034) Full Text: DOI
Mezey, Paul G.; Warburton, Peter; Jako, E.; Szekeres, Zsolt Dimension concepts and reduced dimensions in toxicological QShAR databases as tools for data quality assessment. (English) Zbl 1036.92046 J. Math. Chem. 30, No. 4, 375-387 (2002). MSC: 92F05 68P15 68P99 PDFBibTeX XMLCite \textit{P. G. Mezey} et al., J. Math. Chem. 30, No. 4, 375--387 (2002; Zbl 1036.92046) Full Text: DOI
Szekeres, Zsolt; Mezey, Paul G. Mathematical problems of nuclear configuration averaging. (English) Zbl 1007.81074 J. Math. Chem. 30, No. 3, 315-324 (2002). MSC: 81V55 81V70 81-08 PDFBibTeX XMLCite \textit{Z. Szekeres} and \textit{P. G. Mezey}, J. Math. Chem. 30, No. 3, 315--324 (2002; Zbl 1007.81074) Full Text: DOI
Mezey, Paul G. A uniqueness theorem of molecular recognition. (English) Zbl 1003.92036 J. Math. Chem. 30, No. 3, 305-313 (2002). MSC: 92E10 81V55 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 30, No. 3, 305--313 (2002; Zbl 1003.92036) Full Text: DOI
Mezey, Paul G. The holographic principle for latent molecular properties. (English) Zbl 1007.92504 J. Math. Chem. 30, No. 3, 299-303 (2002). MSC: 92E10 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 30, No. 3, 299--303 (2002; Zbl 1007.92504) Full Text: DOI
Mezey, Paul G. Shape-similarity relations based on topological resolution. (English) Zbl 1074.92514 J. Math. Chem. 27, No. 1-2, 61-69 (2000). MSC: 92E10 92E20 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 27, No. 1--2, 61--69 (2000; Zbl 1074.92514) Full Text: DOI
Mezey, Paul G. The T-hull approach to transformations of discrete point sets to continua and shape transformations between discontinuous objects using alpha-hulls. (English) Zbl 1074.92513 J. Math. Chem. 27, No. 1-2, 53-60 (2000). MSC: 92E10 92E20 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 27, No. 1--2, 53--60 (2000; Zbl 1074.92513) Full Text: DOI
Mezey, Paul G. Generalized chirality and symmetry deficiency. (English) Zbl 0934.92036 J. Math. Chem. 23, No. 1-2, 65-84 (1998). MSC: 92E10 81V55 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 23, No. 1--2, 65--84 (1998; Zbl 0934.92036) Full Text: DOI
Mezey, Paul G. (ed.) Girona 97. Special issue. 7th international conference on Mathematical chemistry and the 3rd Girona seminar on Molecular similarity. Girona, Catalonia, Spain, May 26–31, 1997. (English) Zbl 0904.00060 J. Math. Chem. 23, No. 1-2, 261 p. (1998). MSC: 00B25 92-06 92Exx PDFBibTeX XML
Mezey, Paul G. Macromolecular density matrices and electron densities with adjustable nuclear geometries. (English) Zbl 0878.92036 J. Math. Chem. 18, No. 2-4, 141-168 (1995). MSC: 92E99 81V55 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 18, No. 2--4, 141--168 (1995; Zbl 0878.92036) Full Text: DOI
Mezey, Paul G. Rules on chiral and achiral molecular transformations. II. (English) Zbl 0900.92004 J. Math. Chem. 18, No. 2-4, 133-139 (1995). MSC: 92-XX PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 18, No. 2--4, 133--139 (1995; Zbl 0900.92004) Full Text: DOI
Walker, P. Duane; Mezey, Paul G. A new computational microscope for molecules: High resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods. (English) Zbl 0904.92006 J. Math. Chem. 17, No. 2-3, 203-234 (1995). MSC: 92C05 92C40 92-08 PDFBibTeX XMLCite \textit{P. D. Walker} and \textit{P. G. Mezey}, J. Math. Chem. 17, No. 2--3, 203--234 (1995; Zbl 0904.92006) Full Text: DOI
Mezey, Paul G. Rules on chiral and achiral molecular transformations. (English) Zbl 0904.92034 J. Math. Chem. 17, No. 2-3, 185-202 (1995). MSC: 92E10 70F99 92E99 51M05 PDFBibTeX XMLCite \textit{P. G. Mezey}, J. Math. Chem. 17, No. 2--3, 185--202 (1995; Zbl 0904.92034) Full Text: DOI
Arimoto, Shigeru; Mezey, Paul G. Symmorphy transformations and operators in the repeat space \(X_ r (q)\) for additivity problems. (English) Zbl 0857.92020 J. Math. Chem. 16, No. 1-2, 93-114 (1994). MSC: 92E10 20G45 20G99 PDFBibTeX XMLCite \textit{S. Arimoto} and \textit{P. G. Mezey}, J. Math. Chem. 16, No. 1--2, 93--114 (1994; Zbl 0857.92020) Full Text: DOI