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Works citing this work

6 works

Work: A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

  1. Reconstructing Reactivity in DynamicHost-Guest Systems at Atomistic Resolution:Amide Hydrolysis Under Confinement in theCavity of a Coordination Cage

    Massimo Delle Piane, Luca Pesce, Matteo Cioni +1

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20220 citations
    ABI

  2. Into the Dynamics of Rotaxanes at Atomistic Resolution

    Luigi Leanza, Claudio Perego, Luca Pesce +3

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 citations
    ABI

  3. Into the Dynamics of Rotaxanes at Atomistic Resolution

    Luigi Leanza, Claudio Perego, Luca Pesce +3

    PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 citations
    ABI

  4. Unveiling the Borohydride Ion through Force-Field Development

    Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5

    ArticleHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 citations
    ABI

  5. Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations

    Stève–Jonathan Koyambo-Konzapa, Berthelot Saïd Duvalier Ramlina Vamhindi, Bekzod Khudaykulov +5

    ArticleFree Radicals and AntioxidantsPLoS ONE20250 citations
    ABI

  6. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

    I. N. Nurgaliev, M. B. Marasulov, Z. N. Zhulliev +2

    ArticlePerovskite Materials and ApplicationsJournal of Structural Chemistry20250 citations
    ABI