Advances in Chemical Modeling de Mihai V. Putz

Advances in Chemical Modeling

Mihai V. Putz

This book presents and discusses current research in the study of chemical modelling. Topics discussed include the periodic law and the Scerri's periodic table; the family resemblance view of quantum mechanics; the relationship between electronic sharing in bonding and electronegtivity equalisation of atoms in molecules; Gordy' atomic electronegatiity ansatz; amphoteric, amphihydric and ambisaline; from cyclic silylenes to allenic structures; and modelling and simulation of isothermal fixed-bed adsorption column.

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	Preț	Express
Hardback (4)	1358^.26 lei 3-5 săpt.
Nova Science Publishers Inc – 30 noi 2012	1358^.26 lei 3-5 săpt.
Nova Science Publishers Inc – 30 sep 2013	1410^.34 lei 3-5 săpt.
Nova Science Publishers Inc – 20 sep 2011	1626^.32 lei 3-5 săpt.
Nova Science Publishers Inc – 22 noi 2011	1938^.16 lei 3-5 săpt.

Preț

Express

Hardback (4)

1358^.26 lei 3-5 săpt.

Nova Science Publishers Inc – 30 noi 2012

1358^.26 lei 3-5 săpt.

Nova Science Publishers Inc – 30 sep 2013

1410^.34 lei 3-5 săpt.

Nova Science Publishers Inc – 20 sep 2011

1626^.32 lei 3-5 săpt.

Nova Science Publishers Inc – 22 noi 2011

1938^.16 lei 3-5 săpt.

Cuprins

Preface: Modeling Chemistry, In Cerebro & In Silico; Big Chemical Ideas in The Context: The Periodic Law & the Scerris Periodic Table; The Family Resemblance View of Quantum Mechanics; On Relationship between Electronic Sharing in Bonding & Electronegativity Equalization of Atoms in Molecules; Gordys Atomic Electronegativity Ansatz: Revisited; Amphoteric, Amphihydric & Ambisaline: Are These Descriptive Concepts Manifestations of Convenience, Anthropocentrism, or Folksonomy?; From cyclic silylenes to allenic structures; Modeling & simulation of isothermal fixed-bed adsorption column: comparison of pore & solid diffusion mass transfer; Elastic Sphere Model Of Some Inorganic Molecules; Electron-Poor Polyhedra in Metallaborane Structures: Metal Atoms at Degree 7 Vertices of Capped isocloso Deltahedra; The Highly Unsaturated Binuclear Fluoroborylene Iron Carbonyls Fe2(BF)2(CO)n (n = 5, 4): Evidence for a Novel Bridging Difluorodiborene Ligand; The Z Index & Number Theory Continued fraction, Eulers continuant, & caterpillar graph; Graphs with given number of cut-edges & minimal value of Wiener number; The E & S Thermodynamic Directed Graphs; A Graph Model Related To Chemistry; On Altered Wiener Indices of Trees & Molecular Trees; The Eccentric Connectivity Index of Nanostar Dendrimers; Omega polynomial in crystal-like single type face/ring networks; Multi-tori by a pentagon/hexagon-triple unit; Graphene Topological Modifications; The Bipartite Edge Frustration of Some Infinite Families of Fullerenes; Computing Schultz & modified Schultz polynomials of C80 Fullerene by GAP program; The area generating function for simple-2-column polyominoes with hexagonal cells; Upper Bound for Total Domination Number on Linear & Double Hexagonal Chains; The Integer-Valued Characters of Tert-Butyl Alcohol; On the Models of Cross-linking Efficiency of Cotton Cellulose obtained by Genetic Programming; Molecular Classification of Thiocarbamates with Cytoprotection Activity against Human Immunodeficiency Virus; Molecular evolution-directed approach for designing of β-methylaspartate mutase from the sequences of Haloarchaea; Characterization of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical Analysis; Models for Prediction of Braf Inhibitory Activity of 2,6-Disubstituted Pyrazines; Semi-Random Descriptors in QSAR/QSPR Studies; Spectral-SAR Realization of OECD-QSAR Principles; Testing Elemental Periodicity by QSPR; Index.