Trends and Perspectives in Modern Computational Science

Couverture
Taylor & Francis, 27 oct. 2006 - 591 pages

This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.

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Table des matières

Buckingham
1
Werner Kutzelnigg 2362
23
W Głaz T Bancewicz J L Godet G Maroulis and A Haskopoulos 6379
63
Droits d'auteur

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Autres éditions - Tout afficher

Trends and Perspectives in Modern Computational Science
George Maroulis,Theodore Simos
Aperçu limité - 2006
Trends and Perspectives in Modern Computational Science
George Maroulis,Theodore Simos
Aperçu limité - 2006
Trends and Perspectives in Modern Computational Science
George Maroulis,Theodore Simos
Affichage d'extraits - 2006
Tout afficher »

Expressions et termes fréquents

2300 PA Leiden ab initio algorithm anion approximation atoms B3LYP barchan basis set C.J. Cramer calculations CCSD(T charge Chem chemical chiral clusters complex components configuration contribution corresponding D.G. Truhlar density functional theory density matrix dimer dipole dipole moment diradical diradical character dunes dynamics effect electron correlation electronic structure enzyme equations excited experiment experimental Figure free energies frequency gas phase geometry guanine Hamiltonian Hartree-Fock hydrogen bonding hyper-Raman hyperpolarizability initio interaction intermolecular ions Kohn-Sham Lett linear liquid methods molecular molecules monomer Netherlands and Computational obtained optical optimized orbitals OVOS parameters perturbation Phys Physics polarizability polarization potential predicted properties proton Quantum Chem quantum chemistry quantum mechanical Raman relativistic resonance respectively simulation solution solvation solvent spectra spectroscopy spectrum spin surface symmetry Table tautomers theoretical transition V. H. Smith values vibrational wave function

Informations bibliographiques

TitreTrends and Perspectives in Modern Computational Science
Volume 6 de Lecture series on computer and computational sciences, ISSN 1573-4196
AuteursGeorge Maroulis, Theodore Simos
RédacteursGeorge Maroulis, Theodore Simos
Éditionillustrée
ÉditeurTaylor & Francis, 2006
Original provenant del'Université du Michigan
Numérisé15 nov. 2007
ISBN9004155414, 9789004155411
Longueur591 pages
  
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