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12 p, 5.9 MB Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [ML] 12- Supramolecular Organometallic Cage / Norjmaa, Gantulga (Universitat Autònoma de Barcelona. Departament de Química) ; Vidossich, Pietro (Istituto Italiano di Tecnologia) ; Maréchal, Jean-Didier (Universitat Autònoma de Barcelona. Departament de Química) ; Ujaque Pérez, Gregori (Universitat Autònoma de Barcelona. Departament de Química)
The encapsulation of molecular guests into supramolecular hosts is a complex molecular recognition process in which the guest displaces the solvent from the host cavity, while the host deforms to let the guest in. [...]
2021 - 10.1021/acs.jcim.1c00348
Journal of Chemical Information and Modeling, Vol. 61, Issue 9 (September 2021) , p. 4370-4381  
Detailed record - Creative Commons

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