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640 积分 2024-11-03 加入
High-Throughput Screening of the CoRE-MOF-2019 Database for CO2 Capture from Wet Flue Gas: A Multi-Scale Modeling Strategy
1个月前
已完结
Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications
1个月前
已完结
Coordination Bonding Directed Molecular Assembly toward Functional Metal–Organic Frameworks: From Structural Regulation to Properties Modulation
3个月前
已完结
Functional Porous Coordination Polymers
3个月前
已完结
On the Role of Flexibility for Adsorptive Separation
3个月前
已完结
Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials
6个月前
已完结
Molecular Orbitals of NO, NO+, and NO–: A Computational Quantum Chemistry Experiment
7个月前
已完结
Orenha R P, Galembeck S E. Molecular orbitals of NO, NO+, and NO– : A computational quantum chemistry experiment. Journal of Chemical Education, 2014, 91 (7): 1064-1069
7个月前
已关闭
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