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RESEARCH PAPER · Royal Society Open Science · 2022

Reparametrization of the Colle–Salvetti formula

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Reparametrization of the Colle–Salvetti formulaOriginalConsequences of approximating electron correlation effects1Correlated energy from radial density–energy relations1Quantum evaluation of novel epoxides: molecular docking, dynamics simulation, pharmacokinetics, stereoselectivity, and mechanistic insights into cis-himachalone and cis-himachalol epoxidation7The selectivity of the (3+2) cycloaddition of 1-bromo-1-(ethoxycarbonylmethylidene)-2-nitrophenylhydrazine to 1-methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione and the bioevaluation of the reaction products1

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  1. Consequences of approximating electron correlation effects

    Molecular Physics · 2022-11-24

    Adam L. Baskerville, Philippa U. Cox, Hazel Cox

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  2. Correlated energy from radial density–energy relations

    Royal Society Open Science · 2023-03-01

    Adam L. Baskerville, Conor Gray, Hazel Cox

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  3. Quantum evaluation of novel epoxides: molecular docking, dynamics simulation, pharmacokinetics, stereoselectivity, and mechanistic insights into cis-himachalone and cis-himachalol epoxidation

    Chemistry of Heterocyclic Compounds · 2024-12-01

    Ilham Ait braim, Soukayna Baammi, Anas Ouled Aitouna, Abdellah Zeroual, Ahmed Chekroun, Haydar A. Mohammad‐Salim, Mohammad K. Al‐Sadoon, Mohammed Elalaoui Belghiti, Jesus Vicente de Julián‐Ortiz, Ahmed Benharref

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  4. The selectivity of the (3+2) cycloaddition of 1-bromo-1-(ethoxycarbonylmethylidene)-2-nitrophenylhydrazine to 1-methyl-4-phenyl-1,3-dihydro-2H-1,5-benzodiazepine-2-thione and the bioevaluation of the reaction products

    Chemistry of Heterocyclic Compounds · 2025-08-01

    Said El Hizazi, Khadija Lahmadi, Mohammed Salah, Noureddine Ali Elboughdiri, Karim Kriaa, Majeed Ali Habeeb, Abdellah Zeroual

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