발행물

전체 논문

276

91

CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
J. Borycz, L.-C. Lin, E. Bloch, J. Kim, A. Dzubak, R. Maurice, D. Semrouni, K. Lee, B. Smit*, L. Gagliardi*
Journal of Physical Chemistry C, 2014

92

Predicting low-k zeolite dielectric materials
R. Poloni, J. Kim*
Journal of Materials Chemistry C, 2014

93

Efficient Determination of Accurate Force Fields for Porous Materials Using Ab-initio Total Energy Calculations
J. Kim*, L.-C. Lin, K. Lee, J. Neaton, B. Smit
Journal of Physical Chemistry C, 2014

94

Optimizing nanoporous materials for gas storage
C. Simon, J. Kim, L.-C. Lin, R.L. Martin, M. Haranczyk, B. Smit*
Physical Chemistry Chemical Physics, 2014

95

Computational Generation of User-Desired Multivariate Metal-Organic Framework Structures
J. Kim*
ChemPhysChem, 2014

96

Mapping of Functional Groups in Metal-Organic Frameworks
X. Kong, H. Deng, F. Yan, J. Kim, J. Swisher, B. Smit, O. Yaghi, J. Reimer
Science, 2013

97

Evaluating mixture adsorption models using molecular simulation
J. Swisher, L.-C. Lin, J. Kim, B. Smit
AIChE Journal, 2013

98

Large-scale Screening of zeolite structures for CO2 membrane separations
J. Kim*, M. Abouelnasr, L.-C. Lin, B. Smit
JACS, 2013

99

Understanding CO2 Dynamics in Metal-Organic Frameworks with Open Metal Sites
L.-C. Lin, J. Kim, X. Kong, E. Scott, T. McDonald, J. Long, J. Reimer, B. Smit
Angewandte Chemie, 2013

100

New materials for methane capture from dilute and medium-concentration sources
J. Kim, A. Maiti, L.-C. Lin, J. Stolaroff, B. Smit, R. Aines
Nature Communications, 2013