Cantitate/Preț
Produs
Total produse
Vezi coșul
Reaction and Molecular Dynamics: Proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999) de A. Lagana

Reaction and Molecular Dynamics: Proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999): Lecture Notes in Chemistry, cartea 75

Editat de A. Lagana, A. Riganelli
en Limba Engleză Paperback – 27 noi 2000
The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.
Citește tot Restrânge

Din seria Lecture Notes in Chemistry

  • False Teachers and Prophets: Psst God Told Me to Tell You...
    Preț: 9294 lei
  • 18% Photocatalysis: Fundamentals, Materials and Applications
    Preț: 107967 lei
  • 18% Symmetry in Inorganic and Coordination Compounds: A Student's Guide to Understanding Electronic Structure
    Preț: 74665 lei
  • 18% Basis Sets in Computational Chemistry
    Preț: 74939 lei
  • 18% Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices
    Preț: 106377 lei
  • 18% Electron Localization-Delocalization Matrices
    Preț: 96500 lei
  • 18% Many-Body Methods for Atoms, Molecules and Clusters
    Preț: 107359 lei
  • 18% Surface Plasmon Resonance Imaging: Basic Theory and Practical Methodology
    Preț: 107209 lei
  • 18% Solar Light Harvesting with Nanocrystalline Semiconductors
    Preț: 86856 lei
  • 18% Equilibrium Structure of Free Molecules
    Preț: 118535 lei
  • Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods
    Preț: 36341 lei
  • Charge Transfer Processes in Condensed Media
    Preț: 38062 lei
  • 18% Metrology in Chemistry
    Preț: 70024 lei
  • 18% Transition Metal Catalyzed Oxidative Cross-Coupling Reactions
    Preț: 75226 lei
  • 18% Solid-State NMR in Zeolite Catalysis
    Preț: 117415 lei
  • 15% Chemical Physics of Molecular Condensed Matter
    Preț: 66155 lei
  • 15% Accurate Structure Determination of Free Molecules
    Preț: 62167 lei
  • 23% Colloidal Self-Assembly
    Preț: 95900 lei
  • The Transfer of Molecular Energies by Collision: Recent Quantum Treatments
    Preț: 37841 lei
  • 24% Water Reuse and Unconventional Water Resources: A Multidisciplinary Perspective
    Preț: 106486 lei
  • The Permutation Group in Physics and Chemistry
    Preț: 37026 lei
  • Electronic States of Molecules and Atom Clusters: Foundations and Prospects of Semiempirical Methods
    Preț: 36916 lei
  • Aspects of the Linear and Magnetic Circular Dichroism of Planar Organic Molecules
    Preț: 36435 lei
  • Steric Fit in Quantitative Structure-Activity Relations
    Preț: 36953 lei
  • Ab Initio Calculations: Methods and Applications in Chemistry
    Preț: 37137 lei
  • Electrochemistry: A Reformulation of the Basic Principles
    Preț: 37414 lei
  • Collision Theory and Statistical Theory of Chemical Reactions
    Preț: 37841 lei
  • Computational Aspects for Large Chemical Systems
    Preț: 36953 lei
  • Determination of Liquid Water Structure: Coordination Numbers for Ions and Solvation for Biological Molecules
    Preț: 36341 lei
  • Theory of Rate Processes in Condensed Media
    Preț: 36843 lei
  • Pattern Recognition in Chemistry
    Preț: 37010 lei
  • 15% The Unitary Group for the Evaluation of Electronic Energy Matrix Elements: Unitary Group Workshop 1979
    Preț: 61975 lei
  • Intermolecular Forces and Their Evaluation by Perturbation Theory
    Preț: 37137 lei
  • Lattice Dynamics of Molecular Crystals
    Preț: 37491 lei
  • Monte Carlo Applications in Polymer Science
    Preț: 36953 lei
  • Symmetry Properties of Molecules
    Preț: 37062 lei
  • Unified Valence Bond Theory of Electronic Structure
    Preț: 37732 lei
  • The Consistent Force Field: A Documentation
    Preț: 37137 lei
  • Ion Cyclotron Resonance Spectrometry II
    Preț: 38804 lei
  • Second-Order Phase Transitions and the Irreducible Representation of Space Groups
    Preț: 36435 lei
  • Electrical Double Layer at a Metal-dilute Electrolyte Solution Interface
    Preț: 36896 lei
  • Wavefunctions and Mechanisms from Electron Scattering Processes
    Preț: 37581 lei
  • Perspectives in Theoretical Stereochemistry
    Preț: 37454 lei

Preț: 61739 lei

Preț vechi: 72635 lei
-15% Nou

Puncte Express: 926
Preț estimativ în valută:
10927€ • 12814$ • 9580£

Carte tipărită la comandă

Livrare economică 26 ianuarie-09 februarie 26

 Adaugă în coș

Wish list
Gift list
Am citit!
Adaugă în listă
Preluare comenzi: 021 569.72.76

Specificații

ISBN-13: 9783540412021
ISBN-10: 3540412026
Pagini: 332
Ilustrații: XIV, 312 p. 7 illus.
Dimensiuni: 155 x 235 x 17 mm
Greutate: 0.47 kg
Ediția:Softcover reprint of the original 1st ed. 2000
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Lecture Notes in Chemistry

Locul publicării:Berlin, Heidelberg, Germany

Public țintă

Research

Cuprins

Computational Reaction and Molecular Dynamics. from Simple Systems and Rigorous Methods to Large Systems and Approximate Methods.- 1. Introduction.- 2. Potential energy surfaces.- 3. Quantum nuclear dynamics.- 4. Approximate Methods.- 5. Quantum Mechanics Molecular Dynamics methods.- 6. Advanced Computing for Chemical Reactivity Calculations.- I. Lectures.- Fitting Potential Energy Surfaces.- Multivalued Potential Energy Surfaces for Dynamics Studies.- Distributed Approximating Functionals: a Robust, New Approach to Computational Chemistry and Physics.- Time Dependent Quantum Approaches to Chemical Reactivity.- Quantum Reactive Scattering for Three Particle Systems using Hyperspherical Coordinates.- Approximate Time Independent Methods for Polyatomic Reactions.- Quantum-Classical Methods.- Direct Calculation of Reaction Rates.- CAS-SCF and MM-VB Dynamics. Applications to Organic Photochemistry.- Ab-Initio MD Calculations on Dynamics and Reactivity in Confined and Disordered Systems.- Parallel Paradigms for Scientific Computing.- Networking and Hypermedia in Chemistry.- II. Tutorials.- Tutorial on Fitting of Potential Energy Surfaces.- Time-Dependent Techniques.- The exact Computation of Reactive Cross Sections for Atom-Diatom Systems. The Hyperspherical Propagative Approach.- A Quasiclassical Trajectory Study of Atom Diatom Reactions.- Quantum-Classical Methods: a Quantum-Classical Approach to Diatom-Diatom Reactive Scattering and VV Energy Transfer.- III. Contributed papers.- Resonance Characterization for the Ne + H+2 ? NeH+ + HSystem: Time Delays and Argand Diagrams.- Quasiclassical Trajectory Study of the 0(1D) + H2O ? 20H, H + HO2 Reactions.- A Quantum Model Hamiltonian to Study X + YCZ3 ? XY + CZ3 Reactions.- Femtodynamics of Double Proton Transfer in7-azaindole Dimer.- Ab Initio Calculations on the Harpooning Reaction in Ba…FCH3.- Quantum Dynamics of Gas-Phase SN2 Reactions.- A QCT Study of the F + CH4 ? HF + CH3 Reaction Dynamics under Thermal Conditions.