화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Halogen-pi Interactions between Benzene and X-2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T)
Youn IS, Kim DY, Cho WJ, Madridejos JML, Lee HM, Kolaski M, Lee J, Baig C, Shin SK, Filatov M, Kim KS
Journal of Physical Chemistry A, 120(46), 9305, 2016
2 Dipole moment and polarizability of the low-lying excited states of uracil
Pluta T, Kolaski M, Medved' M, Budzak S
Chemical Physics Letters, 546, 24, 2012
3 Ab initio molecular dynamics simulations of excited hydrogen halides and methyl halides
Kumar A, Lee EC, Lee S, Kolaski M
Chemical Physics Letters, 482(4-6), 189, 2009
4 Photoexcitation and photoionization dynamics of water photolysis
Kumar A, Kolaski M, Lee HM, Kim KS
Journal of Physical Chemistry A, 112(24), 5502, 2008
5 Charge-transfer-to-solvent-driven dissolution dynamics of I-(H2O)(2-5) upon excitation: Excited-state ab initio molecular dynamics Simulations
Kolaski M, Lee HM, Pak C, Kim KS
Journal of the American Chemical Society, 130(1), 103, 2008
6 Ab initio molecular dynamics simulations of an excited state of X-(H2O)(3) (X = Cl, I) complex
Kolaski M, Lee HM, Pak C, Dupuis A, Kim KS
Journal of Physical Chemistry A, 109(42), 9419, 2005
7 Insights into the structures, energetics, and vibrations of aqua-rubidium(I) complexes: Ab Initio study
Park J, Kolaski M, Lee HM, Kim KS
Journal of Chemical Physics, 121(7), 3108, 2004
8 Dissolution of a base (RbOH) by water clusters
Odde S, Lee HM, Kolaski M, Mhin BJ, Kim KS
Journal of Chemical Physics, 121(10), 4665, 2004
9 Toward the limits of predictive electronic structure theory: Connected quadruple excitations for large basis set calculations
Kucharski SA, Kolaski M, Bartlett RJ
Journal of Chemical Physics, 114(2), 692, 2001