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Chemical Information & Computational Challenges in the 21st Century

Editat de Mihai V. Putz
en Limba Engleză Hardback – 30 apr 2011
While many fields of our current life and technology make use of the involvement of chemistry, even in a subtle way as quantum-, mathematical-, physical-, nano-, bio-, or eco-, and chemical disciplines, the chemistry itself drives almost all nature cycles through the atomic and molecular structure and reactivity universal principles. This book presents an interdisciplinary-internationally picture of chemical information embedded in various micro- and macro- systems in order to show how fertile the field of research and knowledge is thanks to chemistry.
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Specificații

ISBN-13: 9781612097121
ISBN-10: 161209712X
Pagini: 357
Ilustrații: illustrations
Dimensiuni: 262 x 184 x 25 mm
Greutate: 0.88 kg
Editura: Nova Science Publishers Inc

Cuprins

Foreword: The Dawns of XXI Century in Chemistry; Conceptual Density Functional Theory: From Inhomogeneous Electronic Gas to Bose-Einstein Condensates; Information Tools Ffor Probing Chemical Bonds; Structural Classification of Complex Molecules by Information Entropy & Equipartition Conjecture; Computation of Quantum Mechanical Hybridization & Dipole Correlation of Electronic Structures of Molecules in Terms of the Localized Molecular Orbitals; Assumptions of Quantum Chemistry; Two-Level Dipolar System in a Thermal Bath Interacting with a Dinamic Perturbation; Data Location in a Four-Dimensional Periodic System of Diatomic Molecules; United Atom Model Approach for the Description of Intermolecular Potential Energy in Computational Chemistry; Stereoisograms: A Remedy Against Oversimplified Dichotomy between Enantiomers & Diastereomers in Stereochemistry; Orthogonal Regression Methods in Chemical Modeling.