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Title: |
Advances in Chemical Modeling |
| Sub-title: |
Volume 3 |
Search Result:
| Edited by: |
Mihai V Putz |
| ISBN10-13: |
162257110X : 9781622571109 |
| Format: |
Hardback |
| Size: |
260x180mm |
| Pages: |
494 |
| Weight: |
1.020 Kg. |
| Published: |
Nova Science Publishers, Inc (US) - December 2012 |
| List Price: |
243.99 Pounds Sterling |
| Availability: |
In Stock
Qty Available: 3 |
| Subjects: |
Chemistry |
| 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. |
| Table of Contents: |
| Preface: Modeling Chemistry, In Cerebro & In Silico; Big Chemical Ideas in The Context: The Periodic Law & the Scerri’s Periodic Table; The Family Resemblance View of Quantum Mechanics; On Relationship between Electronic Sharing in Bonding & Electronegativity Equalization of Atoms in Molecules; Gordy’s 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, Euler’s 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. |
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