화학공학소재연구정보센터
검색결과 : 27건
No. Article
1 Dispersion Effects on the Thermodynamics and Transition States of Dimethylarsinic Acid Adsorption on Hydrated Iron (Oxyhydr)oxide Clusters from Density Functional Theory Calculations
Adamescu A, Hamilton IP, Al-Abadleh HA
Journal of Physical Chemistry A, 120(46), 9270, 2016
2 Density Functional Theory Calculations on the Complexation of p-Arsanilic Acid with Hydrated Iron Oxide Clusters: Structures, Reaction Energies, and Transition States
Adamescu A, Hamilton IP, Al-Abadleh HA
Journal of Physical Chemistry A, 118(30), 5667, 2014
3 Helical Gold Nanorods as Chiral Recognition Nanostructures: A Relativistic Density Functional Theory Study
Liu XJ, Hamilton IP
Journal of the American Chemical Society, 136(51), 17757, 2014
4 Relativistic-Consistent Electron Densities of the Coinage Metal Clusters M-2, M-4, M-4(2-), and M4Na2 (M = Cu, Ag, Au): A QTAIM Study
Sadjadi S, Matta CF, Lemke KH, Hamilton IP
Journal of Physical Chemistry A, 115(45), 13024, 2011
5 Investigations of Strong Hydrogen Bonding in (ROH)(n)center dot center dot center dot FHF- (n=1, 2 and R = H, CH3, C2H5) Clusters via High-Pressure Mass Spectrometry and Quantum Calculations
Nieckarz RJ, Oldridge N, Fridgen TD, Li GP, Hamilton IP, McMahon TB
Journal of Physical Chemistry A, 113(4), 644, 2009
6 Insight into the chemical reaction of CH2OH with NO: Formation of N-hydroxy formamide as an isocyanic acid precursor
Shin DN, Koh DJ, Kim KT, Hamilton IP
Catalysis Today, 119(1-4), 209, 2007
7 Complexes of small neutral gold clusters and hydrogen sulphide: A theoretical study
Li GP, Hamilton IP
Chemical Physics Letters, 420(4-6), 474, 2006
8 Complexes of cationic coinage metal clusters M-n(+) (M = Cu, Ag, Au; n=1-4) and H2S: a theoretical study
Hamilton IP
Chemical Physics Letters, 390(4-6), 517, 2004
9 The HF2--(H2O)(2) complex: a theoretical study
Li GP, Hamilton IP
Chemical Physics Letters, 368(1-2), 236, 2003
10 The HF2--CH3CH2OH complex: a theoretical study
Hamilton IP, Li GP
Chemical Physics Letters, 381(5-6), 623, 2003