Results 331 to 338 of about 11,630,444 (338)
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Density functional approach to the frontier-electron theory of chemical reactivity

, 1984
R. Parr, Weitao Yang
semanticscholar   +1 more source

Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamides.

Journal of Molecular Graphics and Modelling, 2018
C. Soriano-Correa   +3 more
semanticscholar   +1 more source

Multivariate characterization and modeling of the chemical reactivity of epoxides

Environmental Toxicology and Chemistry, 1994
exaly  

An overview of conceptual-DFT based insights into global chemical reactivity of volatile sulfur compounds (VSCs)

Computational Toxicology
Manjeet Bhatia
exaly  

Effects of Substituents on Reactivity and Toxicity of Chemically Reactive Intermediates

Drug Metabolism Reviews, 1982
openaire   +2 more sources

Method for determining chemical reactivity

2003
WIENKERS LARRY C   +2 more
openaire   +2 more sources

Preparation of chemically reactive polysaccharides

1998
openaire   +2 more sources

CHEMICAL SWITCHES FOR DETECTING REACTIVE CHEMICAL AGENTS

2008
WALT DAVID R, BENCIC-NAGALE SANDRA
openaire   +2 more sources
medicine
materials science
environmental science
computer science
physics
conceptual dft
density functional theory
dft
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