화학공학소재연구정보센터
검색결과 : 3건
No. Article
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