Organic ChemistryProblem SolvingPsychological CharacteristicsStudents taking a graduate鈥恖evel course in organic synthesis were individually interviewed and asked to 'think aloud' as they solved several problems from the domain of organic synthesis. Based on analyses of these data, along with two models...
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These results suggest that at least under certain circumstances adding more strongly displaced reference structures obtained by higher-temperature learning steps helps overcoming the problem of long-term stability of the force field. Unfortunately, this is associated with a significantly increased learning e...
2021, Nanomaterials Carbon nano-onions as potential nanocarriers for drug delivery 2021, Dalton Transactions Soft-chemistry synthesis, solubility and interlayer spacing of carbon nano-onions 2021, RSC Advances View all citing articles on ScopusView...
of 0.09 eVÅ−1. However, the more complex functional form including cross terms and an optional, more accurate treatment of long-range electrostatic interactions via a particle-particle particle-mesh solver95slows down MOF-FF by a factor of ca. 5 compared to the more simple force ...
& Sun, D. Isoreticular chemistry within metal–organic frameworks for gas storage and separation. Coord. Chem. Rev. 443, 213968 (2021). 6. Jia, T., Gu, Y. & Li, F. Progress and potential of metal-organic frameworks (MOFs) for gas storage and separation: a review. J. Environ. Chem...