Results 271 to 280 of about 10,809,308 (293)

Density functional theory, chemical reactivity, and the Fukui functions

Foundations of Chemistry, 2022
Renato Pucci, G G N Angilella
exaly  

Chemical reactivity theory (CRT) study of small drug-like biologically active molecules

Journal of Biomolecular Structure and Dynamics, 2021
Ruby Srivastava
exaly  

Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents

Frontiers in Chemistry, 2022
Tatiana Gomez, Shubin Liu, Carlos Cárdenas   +2 more
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, von Szentpály, László, Serdaroğlu, Goncagül, Guo, Lei   +3 more
openaire   +1 more source

A THEORY OF CHEMICAL REACTIVITY

Journal of the American Chemical Society, 1923
openaire   +1 more source

Coupled-cluster theory and chemical reactivity

2023
openaire   +1 more source

Quantum Theory of Chemical Reactivity

Physics Today, 1974
R. Daudel, Carole R. Gatz
openaire   +1 more source

Quantum Theory of Chemical Reactivity

1973
openaire   +1 more source

Theory of chemical structure, kinetics, and reactivity

Theoretical and Experimental Chemistry, 1988
openaire   +1 more source

Temperature‐dependent approach to chemical reactivity concepts in density functional theory

International Journal of Quantum Chemistry, 2019
José L Gázquez, Alberto Vela, Marco Antônio Franco Perez   +2 more
exaly