Applications of density functional theory to chemical reactivity / Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by A. Chatterjee, G. Maroulis, R.F. Nalewajski, S. Pal, M.V. Putz.

Format
Book
Language
English
Published/​Created
Heidelberg : Springer, ©2012.
Description
ix, 189 pages : illustrations (some color) ; 24 cm.

Details

Subject(s)
Editor
Series
Bibliographic references
Includes bibliographical references and index.
Contents
  • Density functional theory of Bose-Einstein condensation: road to chemical bonding quantum condensate / Mihai V. Putz
  • Information theory Insights into molecular electronic structure and reactivity / Roman F. Nalewajski
  • Applying conventional ab initio and density functional theory approaches to electric property calculations. Quantitative aspects and perspectives / George Maroulis
  • Descriptors as probes for inter-molecular interactions and external perturbation / Sourav Pal
  • Application of reactivity indices within density functional theory to rationale chemical interactions / Abhijit Chatterjee.
ISBN
  • 9783642327520 (alk. paper)
  • 3642327524 (alk. paper)
  • 9783642327537 (eBook)
  • 3642327532 (eBook)
LCCN
2012955472
OCLC
806019897
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