(318a) Accurate Treatment of Electrostatics During Molecular Simulations In Nanoporous Crystals without Assigning Point Charges to Framework Atoms: Application In Material Selection for Flue Gas Separation
- 著者名:
- 掲載資料名:
- 2011 AIChE annual meeting, October 16-21, Minneapolis Convention Center, Minneapolis, MN : conference proceedings : Non-topical conferences
- シリーズ名:
- AIChE Conference Proceedings
- シリーズ巻号:
- P-267
- 発行年:
- 2011
- パート:
- Catalysis & Reaction Engineering Division
- 出版情報:
- New York: American Institute of Chemical Engineers
- ISBN:
- 9780816910700 [0816910707]
- 言語:
- 英語
- 請求記号:
- A08000/2011 [CD-ROM]
- 資料種別:
- 国際会議録
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(190ap) Computational Screening of Metal-Organic Frameworks: Application for Flue Gas Separation
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(665b) Computational Study of Small Molecules with the Open Metal Sites in Cu-BTC and CPO-Ni-27
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