화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Real-Time Observation of Surface Bond Breaking with an X-ray Laser
Dell'Angela M, Anniyev T, Beye M, Coffee R, Fohlisch A, Gladh J, Katayama T, Kaya S, Krupin O, LaRue J, Mogelhoj A, Nordlund D, Norskov JK, Oberg H, Ogasawara H, Ostrom H, Pettersson LGM, Schlotter WF, Sellberg JA, Sorgenfrei F, Turner JJ, Wolf M, Wurth W, Nilsson A
Science, 339(6125), 1302, 2013
2 Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
Mogelhoj A, Kelkkanen AK, Wikfedt KT, Schiotz J, Mortensen JJ, Pettersson LGM, Lundqvist BI, Jacobsen KW, Nilsson A, Norskov JK
Journal of Physical Chemistry B, 115(48), 14149, 2011
3 Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles
Mogelhoj A, Aidas K, Mikkelsen KV, Kongsted J
Chemical Physics Letters, 460(1-3), 129, 2008
4 Solvent effects on NMR isotropic shielding constants. A comparison between explicit polarizable discrete and continuum approaches
Aidas K, Mogelhoj A, Kjaer H, Nielsen CB, Mikkelsen KV, Ruud K, Christiansen O, Kongsted J
Journal of Physical Chemistry A, 111(20), 4199, 2007