公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
---|---|---|---|---|---|---|
2012 | Ab initio carbon capture in open-site metal-organic frameworks | Dzubak A.L.; Lin L.-C.; Kim J.; Swisher J.A.; Poloni R.; Maximoff S.N.; Smit B.; Gagliardi L.; LI-CHIANG LIN | Nature Chemistry | |||
2015 | Adsorption thermodynamics and intrinsic activation parameters for monomolecular cracking of n-alkanes on br?nsted acid sites in zeolites | Janda A.; Vlaisavljevich B.; Lin L.-C.; Mallikarjun Sharada S.; Smit B.; Head-Gordon M.; Bell A.T.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
2014 | CO2 adsorption in Fe2(dobdc): A classical force field parameterized from quantum mechanical calculations | Borycz J.; Lin L.-C.; Bloch E.D.; Kim J.; Dzubak A.L.; Maurice R.; Semrouni D.; Lee K.; Smit B.; Gagliardi L.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
2014 | Computational screening of porous metal-organic frameworks and zeolites for the removal of SO2 and NOx from flue gases | Sun W.; Lin L.-C.; Peng X.; Smit B.; LI-CHIANG LIN | AIChE Journal | |||
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 | |||
2017 | Effects of pore and cage topology on the thermodynamics of n-alkane adsorption at Br?nsted protons in zeolites at high temperature | Janda A.; Vlaisavljevich B.; Smit B.; Lin L.-C.; Bell A.T.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
2016 | Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane | Janda A.; Vlaisavljevich B.; Lin L.-C.; Smit B.; Bell A.T.; 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 | |||
2014 | Evaluating different classes of porous materials for carbon capture | Huck J.M.; Lin L.-C.; Berger A.H.; Shahrak M.N.; Martin R.L.; Bhown A.S.; Haranczyk M.; Reuter K.; Smit B.; LI-CHIANG LIN | Energy and Environmental Science | |||
2013 | Evaluating mixture adsorption models using molecular simulation | Swisher J.A.; Lin L.-C.; Kim J.; Smit B.; LI-CHIANG LIN | AIChE Journal | |||
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 | |||
2016 | High-throughput computational screening of nanoporous adsorbents for CO2 capture from natural gas | Braun E.; Zurhelle A.F.; Thijssen W.; Schnell S.K.; Lin L.-C.; Kim J.; Thompson J.A.; Smit B.; LI-CHIANG LIN | Molecular Systems Design and Engineering | |||
2014 | A hybrid absorption-adsorption method to efficiently capture carbon | Liu H.; Liu B.; Lin L.-C.; Chen G.; Wu Y.; Wang J.; Gao X.; Lv Y.; Pan Y.; Zhang X.; Zhang X.; Yang L.; Sun C.; Smit B.; Wang W.; LI-CHIANG LIN | Nature Communications | |||
2012 | In silico screening of carbon-capture materials | Lin L.-C.; Berger A.H.; Martin R.L.; Kim J.; Swisher J.A.; Jariwala K.; Rycroft C.H.; Bhown A.S.; Deem M.W.; Haranczyk M.; Smit B.; LI-CHIANG LIN | Nature Materials | |||
2012 | Large-scale computational screening of zeolites for ethane/ethene separation | Kim J.; Lin L.-C.; Martin R.L.; Swisher J.A.; Haranczyk M.; Smit B.; LI-CHIANG LIN | Langmuir | |||
2013 | Large-scale screening of zeolite structures for CO2 membrane separations | Kim J.; Abouelnasr M.; Lin L.-C.; Smit B.; LI-CHIANG LIN | Journal of the American Chemical Society | |||
2013 | Mail-order metal-organic frameworks (MOFs): Designing isoreticular MOF-5 analogues comprising commercially available organic molecules | Martin R.L.; Lin L.-C.; Jariwala K.; Smit B.; Haranczyk M.; LI-CHIANG LIN | Journal of Physical Chemistry C | |||
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 |