公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
---|---|---|---|---|---|---|
2014 | Design of a metal-organic framework with enhanced back bonding for separation of N2 and CH4 | Lee K.; Isley III W.C.; Dzubak A.L.; Verma P.; Stoneburner S.J.; Lin L.-C.; Howe J.D.; Bloch E.D.; Reed D.A.; Hudson M.R.; Brown C.M.; Long J.R.; Neaton J.B.; Smit B.; Cramer C.J.; Truhlar D.G.; Gagliardi L.; LI-CHIANG LIN | Journal of the American Chemical Society | |||
2014 | Efficient determination of accurate force fields for porous materials using ab initio total energy calculations | Kim J.; Lin L.-C.; Lee K.; Neaton J.B.; Smit B.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
2016 | Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks | Mercado R.; Vlaisavljevich B.; Lin L.-C.; Lee K.; Lee Y.; Mason J.A.; Xiao D.J.; Gonzalez M.I.; Kapelewski M.T.; Neaton J.B.; Smit B.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
2014 | Force-field development from electronic structure calculations with periodic boundary conditions: Applications to gaseous adsorption and transport in metal-organic frameworks | Lin L.-C.; Lee K.; Gagliardi L.; Neaton J.B.; Smit B.; LI-CHIANG LIN | Journal of Chemical Theory and Computation | |||
2013 | The mechanism of carbon dioxide adsorption in an alkylamine-functionalized metal-organic framework | Planas N.; Dzubak A.L.; Poloni R.; Lin L.-C.; McManus A.; McDonald T.M.; Neaton J.B.; Long J.R.; Smit B.; Gagliardi L.; LI-CHIANG LIN | Journal of the American Chemical Society | |||
2013 | Methane storage capabilities of diamond analogues | Haranczyk M.; Lin L.-C.; Lee K.; Martin R.L.; Neaton J.B.; Smit B.; LI-CHIANG LIN | Physical Chemistry Chemical Physics | |||
2014 | Reversible CO binding enables tunable CO/H2 and CO/N2 separations in metal-organic frameworks with exposed divalent metal cations | Bloch E.D.; Hudson M.R.; Mason J.A.; Chavan S.; Crocell? V.; Howe J.D.; Lee K.; Dzubak A.L.; Queen W.L.; Zadrozny J.M.; Geier S.J.; Lin L.-C.; Gagliardi L.; Smit B.; Neaton J.B.; Bordiga S.; Brown C.M.; Long J.R.; LI-CHIANG LIN | Journal of the American Chemical Society | |||
2015 | Small-molecule adsorption in open-site metal-organic frameworks: A systematic density functional theory study for rational design | Lee K.; Howe J.D.; Lin L.-C.; Smit B.; Neaton J.B.; LI-CHIANG LIN | Chemistry of Materials |