| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394779 | Computational and Theoretical Chemistry | 2012 | 15 Pages |
Abstract
⺠Metal organic framework (MOF) materials are evaluated as potential candidates for hydrogen storage. ⺠Quantum Chemistry, DFT, molecular dynamics, Monte Carlo simulations on MOFS are presented and compared to experiments. ⺠Theoretical methods and simulations used to assess the feasibility of MOFs. ⺠Examples of calculations on sorption and various physico-chemical properties are given.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mousumi Mani-Biswas, Tahir Cagin,