Ushbu ishga iqtibos qilgan ishlar

6 ta ish

Ish: 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 iqtibos

   ABIABI:AkademIndex/openalex/2022.preprint.000051

2. Into the Dynamics of Rotaxanes at Atomistic Resolution

   Luigi Leanza, Claudio Perego, Luca Pesce +3

   PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 iqtibos

   ABIABI:AkademIndex/openalex/2023.preprint.000032

3. Into the Dynamics of Rotaxanes at Atomistic Resolution

   Luigi Leanza, Claudio Perego, Luca Pesce +3

   PreprintSupramolecular Chemistry and ComplexesChemRxiv20230 iqtibos

   ABIABI:AkademIndex/openalex/2023.preprint.000095

4. Unveiling the Borohydride Ion through Force-Field Development

   Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5

   MaqolaHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 iqtibos

   ABIABI:AkademIndex/openalex/2024.article.001527

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

   MaqolaFree Radicals and AntioxidantsPLoS ONE20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.article.002299

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

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

   MaqolaPerovskite Materials and ApplicationsJournal of Structural Chemistry20250 iqtibos

   ABIABI:AkademIndex/openalex/2025.article.017828