TY - BOOK
AU - Putz, Mihai V.
AU - Mingos, David M. P.
TI - Applications of density functional theory to chemical reactivity
PB - Springer
SN - 3642327524
SN - 9783642327520
KW - Density functionals
KW - Reactivity (Chemistry)
KW - Physicochemical Phenomena
KW - Models, Chemical
KW - Molecular Structure
KW - Quantum Theory
KW - Chemical reactions
KW - Aufsatzsammlung
KW - Chemische Verbindungen
KW - Reaktivität
KW - Dichtefunktionalformalismus
PY - 2012
N2 - Density functional theory of Bose-Einstein condensation: road to chemical bonding quantum condensate / Mihai V. PutzInformation 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.
BT - Structure and bonding ; 149
CY - Berlin
UR - http://slubdd.de/katalog?TN_libero_mab2
ER -
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