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Efficient use of bifunctional acid-base properties for alkylammonium formation in amine-substituted zeolites
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Evaluation of different model space approaches based on DFT to examine the EPR parameters of a radiation-induced radical in solid-state alpha-glycine
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DFT-EPR study of radiation-induced radicals in alpha-D-glucose
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Ab initio and experimental study on thermally degradable polycarbonates: Effect of structure on reactivity
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Application of molecular cluster models to study the amino acid L-alpha-alanine and its derived radicals in the crystalline state
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A recent development in computational chemistry: chemical reactions from first principles molecular dynamics simulations
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Ab initio study of radical reactions: Role of coupled internal rotations on the reaction kinetics (III)
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Ab initio studies of thermal syn-elimination reactions in carbonates: Effect of structure on reactivity
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Thermodegradable polycarbonates: Effect of substituents on the degradation temperature
(2002) E-POLYMERS. -
Density functional calculations on alanine-derived radicals: Influence of molecular environment on EPR hyperfine coupling constants.