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Applications of Density Functional Theory to Chemical Reactivity
2012From the Contents: Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate - Information Theory Insights into Molecular Electronic Structure and Reactivity - Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations.
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Chemical reactivity theory (CRT) study of small drug-like biologically active molecules
Journal of Biomolecular Structure and Dynamics, 2021Ruby Srivastava
exaly
Chemical Reactivity: Volume 1: Theories and Principles
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 ...Kaya, Savaş +3 more
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A THEORY OF CHEMICAL REACTIVITY
Journal of the American Chemical Society, 1923openaire +1 more source
Quantum Theory of Chemical Reactivity
Physics Today, 1974R. Daudel, Carole R. Gatz
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Temperature‐dependent approach to chemical reactivity concepts in density functional theory
International Journal of Quantum Chemistry, 2019José L Gázquez +2 more
exaly
Theory of chemical structure, kinetics, and reactivity
Theoretical and Experimental Chemistry, 1988openaire +1 more source