화학공학소재연구정보센터
검색결과 : 21건
No. Article
1 First principle study of hydrogen diffusion in equilibrium rutile, rutile with deformation twins and fluorite polymorph of Mg hydride
Tao SX, Kalisvaart WP, Danaie M, Mitlin D, Notten PHL, van Santen RA, Jansen APJ
International Journal of Hydrogen Energy, 36(18), 11802, 2011
2 Mechanism of the Initial Stage of Silicate Oligomerization
Zhang XQ, Trinh TT, van Santen RA, Jansen APJ
Journal of the American Chemical Society, 133(17), 6613, 2011
3 Direct versus Hydrogen-Assisted CO Dissociation
Shetty S, Jansen APJ, van Santen RA
Journal of the American Chemical Society, 131(36), 12874, 2009
4 Enantioselectivity of immobilized Mn-salen complexes: A computational study
Malek K, Jansen APJ, Li C, van Santen RA
Journal of Catalysis, 246(1), 127, 2007
5 Mechanism of oligomerization reactions of silica
Trinh TT, Jansen APJ, van Santen RA
Journal of Physical Chemistry B, 110(46), 23099, 2006
6 Lateral interactions and multi-isotherms: Nitrogen recombination from Rh(111)
Hermse CGM, van Bavel AP, Nieuwenhuys BE, Lukkien JJ, van Santen RA, Jansen APJ
Langmuir, 21(18), 8302, 2005
7 Quantum chemical calculation of infrared spectra of acidic groups in chabazite in the presence of water
Mihaleva VV, van Santen RA, Jansen APJ
Journal of Chemical Physics, 120(19), 9212, 2004
8 Formation of chiral domains for tartaric acid on Cu(110): A combined DFT and kinetic Monte Carlo study
Hermse CGM, van Bavel AP, Jansen APJ, Barbosa LAMM, Sautet P, van Santen RA
Journal of Physical Chemistry B, 108(30), 11035, 2004
9 Dynamic Monte Carlo simulations of O-2 adsorption and reaction on Pt(111)
Mainardi DS, Calvo SR, Jansen APJ, Lukkien JJ, Balbuena PB
Chemical Physics Letters, 382(5-6), 553, 2003
10 Combining density-functional calculations with kinetic models: NO/Rh(111)
Hermse CGM, Frechard F, van Bavel AP, Lukkien JJ, Niemantsverdriet JW, van Santen RA, Jansen APJ
Journal of Chemical Physics, 118(15), 7081, 2003