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Title: |
Advances in Chemical Modeling |
Search Result:
| Edited by: |
Mihai V Putz |
| ISBN10-13: |
1612090281 : 9781612090283 |
| Format: |
Hardback |
| Size: |
180x260mm |
| Pages: |
467 |
| Weight: |
1.018 Kg. |
| Published: |
Nova Science Publishers, Inc (US) - September 2011 |
| List Price: |
292.99 Pounds Sterling |
| Availability: |
In Stock
Qty Available: 1 |
| Subjects: |
Chemistry |
| This book brings together the theoretical, mathematical, quantum and computational methodologies of approaching structural, bonding and reactivity characterisations of the chemical systems. |
| Table of Contents: |
| Preface; Levels of a Unified Theory of Chemical Interaction; Chemical Reactivity & Electromagnetic Field; Single-Electron State Filling Order across the Elements; Visualizing Electron Populations in Atoms; Exploring the Comparative Efficacy of Localization Algorithm of Sinanoglu in Computing Bonding & Hybridization in Electron Deficient Molecules; Molecular & Electronic Structure of 4,4'-diaminodiphenylmethane: Vibrational, NMR & DFT Study; Acidities of the metal aqua ions. A DFT study; Biphenyls, Bond Paths & Repulsions: Do the Ortho & Ortho' Substituents in Biphenyls Repel or Attract (Bind to) Each Other?; Effect of the dynamics of solvent molecules on the entropy change in the formation of calix[6]arene - phenol host-guest complexes. An account on their physico-chemical features; Molecular dynamics simulations of liquid & ionic solvation of carbon tetrachloride: Based on atom-bond electronegativity equalization method fused into molecular mechanics (ABEEM/MM); Structural Diversities of Three-Membered Silicon & Carbon Rings; Analysis of The Reversible A?B Reaction-Diffusion Process Using Boundary Layer Functions; Mapping out pq=qp Redundancies in n?n Data Arrays; Graph-theoretical study of inorganic & organic halides; Harary Index of Landscape Graphs; Estrada Index Of Bipartite Graphs; Estimation of Stability Constants by Graph-Theoretical Models. Binding of Amino Acids to Copper(II) & Nickel(II) Complexes of Iminodiacetates & Pyridyl Derivatives of Aspartic Acid; Group Theory for Tetramethylsilane, Application in Combinatorial Isomer Enumeration; Topological Descriptors for Predicting Affinity of Xanthine Derivates to A2B Adenosine Receptors; Topological Study of an Infinite Class of Nanostar Dendrimer. |
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