검색결과 : 3건
No. | Article |
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1 |
Dispersible Exfoliated Zeolite Nanosheets and Their Application as a Selective Membrane Varoon K, Zhang XY, Elyassi B, Brewer DD, Gettel M, Kumar S, Lee JA, Maheshwari S, Mittal A, Sung CY, Cococcioni M, Francis LF, McCormick AV, Mkhoyan KA, Tsapatsis M Science, 333(6052), 72, 2011 |
2 |
Car-Parrinello molecular dynamics in the DFT+U formalism: Structure and energetics of solvated ferrous and ferric ions Sit PHL, Cococcioni M, Marzari N Journal of Electroanalytical Chemistry, 607(1-2), 107, 2007 |
3 |
Simulation of heme using DFT+U: A step toward accurate spin-state energetics Scherlis DA, Cococcioni M, Sit P, Marzari N Journal of Physical Chemistry B, 111(25), 7384, 2007 |