화학공학소재연구정보센터
검색결과 : 57건
No. Article
1 An Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Sulfur Trioxide Catalyzed by a Formic Acid or Water Molecule
Kangas P, Hanninen V, Halonen L
Journal of Physical Chemistry A, 124(10), 1922, 2020
2 Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface
Daub CD, Hanninen V, Halonen L
Journal of Physical Chemistry B, 123(3), 729, 2019
3 Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide Salt on the Deprotonation of Formic Acid in Aqueous Solution
Daub CD, Halonen L
Journal of Physical Chemistry B, 123(31), 6823, 2019
4 Generalized Intermolecular Interaction Tensor Applied to Long-Range Interactions in Hydrogen and Coinage Metal (Cu, Ag, and Au) Clusters
Hatz R, Korpinen M, Hanninen V, Halonen L
Journal of Physical Chemistry A, 119(48), 11729, 2015
5 Ionization of Acids on the Quasi-Liquid Layer of Ice
Riikonen S, Parkkinen P, Halonen L, Gerber RB
Journal of Physical Chemistry A, 118(27), 5029, 2014
6 Dispersion Interactions in Small Zinc, Cadmium, and Mercury Clusters
Hatz R, Hanninen V, Halonen L
Journal of Physical Chemistry A, 118(30), 5734, 2014
7 Pair-Potential Approach to Accurate Dispersion Energies between Group 12 (Zn, Cd, Hg) Clusters
Hatz R, Hanninen V, Halonen L
Journal of Physical Chemistry A, 118(51), 12274, 2014
8 (H2O)(20) Water Clusters at Finite Temperatures
Parkkinen P, Riikonen S, Halonen L
Journal of Physical Chemistry A, 117(39), 9985, 2013
9 Calculation of the O-H Stretching Vibrational Overtone Spectrum of the Water Dimer (vol 112, pg 6305, 2008)
Salmi T, Hanninen V, Garden AL, Kjaergaard HG, Tennyson J, Halonen L
Journal of Physical Chemistry A, 116(1), 796, 2012
10 Ab Initio Structural and Vibrational Investigation of Sulfuric Acid Monohydrate
Partanen L, Hanninen V, Halonen L
Journal of Physical Chemistry A, 116(11), 2867, 2012