화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Nuclear magnetic resonance chemical shifts and quadrupole couplings for different hydrogen-bonding cases occurring in liquid water: A computational study
Pennanen TS, Lantto P, Sillanpaa AJ, Vaara J
Journal of Physical Chemistry A, 111(1), 182, 2007
2 Nuclear magnetic shielding and quadrupole coupling tensors in liquid water: A combined molecular dynamics simulation and quantum chemical study
Pennanen TS, Vaara J, Lantto P, Sillanpaa AJ, Laasonen K, Jokisaari J
Journal of the American Chemical Society, 126(35), 11093, 2004
3 Structural and spectral properties of aqueous hydrogen fluoride studied using ab initio molecular dynamics
Sillanpaa AJ, Simon C, Klein ML, Laasonen K
Journal of Physical Chemistry B, 106(43), 11315, 2002
4 A computational study of aluminum hydroxide solvation
Sillanpaa AJ, Paivarinta JT, Hotokka MJ, Rosenholm JB, Laasonen KE
Journal of Physical Chemistry A, 105(44), 10111, 2001