|
Title: |
Advances in Chemical Modeling |
| Sub-title: |
Volume 2 |
Search Result:
| Edited by: |
Mihai V Putz |
| ISBN10-13: |
1612096697 : 9781612096698 |
| Format: |
Hardback |
| Size: |
180x260mm |
| Pages: |
468 |
| Weight: |
1.052 Kg. |
| Published: |
Nova Science Publishers, Inc (US) - November 2011 |
| List Price: |
349.99 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 chemical action and the transition state reactivity; algebraic chemistry of catalysis; solid-state polymerisation kinetics; fractal features of proteins structure and dynamics; modelling on methanol clusters; chemical hardness assessment of aromaticity for certain organic compounds; dependence of thermodynamic characteristics on spatial-energy parameter or free atoms and the scattering of particles and waves on nucleon nodes of the atom. |
| Table of Contents: |
| Preface; Zero & Vacuum: Parallel Stories of Two Parallel Concepts; Chemical Action & the Transition State Reactivity; On The Algebraic Chemistry of Catalysis; Modeling of The Solid-State Polymerization Kinetics; Dependence of Thermodynamic Characteristics Upon Spatial-Energy Parameter of Free Atoms; On Chemical Hardness Assessment of Aromaticity for Some Organic Compounds; A Quantum Mechanical Calculation of The Reactivity Descriptors of Ammonia (NH3) Molecule During The Physical Process of Its Umbrella (C3v --D3h) Inversion & Identification of The Preferred Conformation of Reaction in The Gas Phase; Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 1. The Dipole Moments of Some Heteronuclear Diatomic Molecules; Computation of Some Descriptors of The Real World in Terms of A New Scale of Electronegativity. Part 2. Evaluation of Equilibrium Internuclear Bond Distances of Some Heteronuclear Diatomics; Density Functional Study on The Stability & Reactivity of Pt(100) & Pt(111) Surfaces Modified by Ni Atoms; Modeling on Methanol Clusters in Terms of Ab Initio & ABEEM/MM Methods; Twisted Phenanthrene & Other Molecular Victims of Steric Repulsion; H-4-Noreudesman-6,12-Olide(-Hydroxy-4-Oxo-11(Molecular Modeling & Spectroscopic Properties of A Sesquiterpene Lactone, 1. |
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