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...
saving hours of time and frustration. Each Problem Solver is an insightful and essential study and solution guide filled with clear, concise problem-solving gems. More useful, more practical, and more informative, these study aids are the best review books and textbook companions available. Nothing...
DMCCB Basel Symposium 2016 Macrocycles in Drug- and Agrochemical Discovery Symposium of the Division of Medicinal Chemistry and Chemical Biology (DMCCB) of... In a world of dwindling fossil-based energy, global air pollution and warming, biocatalysis may be a perfect problem-solver. It has the...
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...
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 ...
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 ...
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...
Molecular Chemistry of Sol-Gel Derived Nanomaterials; Wiley: Chichester, UK, 2009. [Google Scholar] Hu, Z.; Miao, J.; Li, T.; Liu, M.; Murtaza, I.; Meng, H. Reduced interface losses in inverted perovskite solar cells by using a simple dual-functional phenanthroline derivative. Nano ...
Such methods are based on a robust representation of the molecular chemistry hence they enable the determination of property features at even the atomic or molecular scale. However, the resulting predictions may not be easily transferred into molecular parameters which are required to performed mass ...