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Year: 2018 Subject: TD-DFT Subject: statistical kinetics

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Title: A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters
Author: García Algarra, Andrés / Fernández-Trujillo Rey, María Jesús / García Basallote, Manuel
Language: Inglés
Repository: 30
Subject: cluster compounds / density functional calculations / kinetics / statistical kinetics / TD-DFT

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