화학공학소재연구정보센터
검색결과 : 60건
No. Article
1 Cyclic water-trimer encapsulation into D-2(22)-C-84 fullerene
Slanina Z, Uhlik F, Nagase S, Akasaka T, Lu X, Adamowicz L
Chemical Physics Letters, 695, 245, 2018
2 The direct crystallographic evidences of undissociated HCl hydrates and unconventional cis-linear conformation of the water dimer in an organic crystal determined at ambient condition
Zhang C, Feng Y, Shen C, Yong GP
Chemical Physics Letters, 659, 176, 2016
3 물 분자의 해리에 의한 Si (001)-c(4 × 2) 표면에서의 수산화기의 균일한 분포
이수경, 오현철, 김대희, 정용찬, 백승빈, 김영철
Korean Journal of Materials Research, 20(9), 457, 2010
4 Direct calculation of anharmonic vibrational states of polyatomic molecules using potential energy surfaces calculated from density functional theory
Wright NJ, Gerber RB
Journal of Chemical Physics, 112(6), 2598, 2000
5 Closely approximating second-order Moller-Plesset perturbation theory with a local triatomics in molecules model
Lee MS, Maslen PE, Head-Gordon M
Journal of Chemical Physics, 112(8), 3592, 2000
6 Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach
Mo YR, Gao JL, Peyerimhoff SD
Journal of Chemical Physics, 112(13), 5530, 2000
7 High-level ab initio calculations of torsional potential of phenol, anisole, and o-hydroxyanisole: Effects of intramolecular hydrogen bond
Tsuzuki S, Houjou H, Nagawa Y, Hiratani K
Journal of Physical Chemistry A, 104(6), 1332, 2000
8 Anomalous isotope effect in Ar-H2S versus the normal effect in Ne-H2S
de Oliveira G, Dykstra CE
Journal of Chemical Physics, 110(1), 289, 1999
9 Structures of furanosides: Density functional calculations and high-resolution X-ray and neutron diffraction crystal structures
Evdokimov AG, Kalb AJ, Koetzle TF, Klooster WT, Martin JML
Journal of Physical Chemistry A, 103(6), 744, 1999
10 Intermolecular interaction potential of the carbon dioxide dimer
Tsuzuki S, Uchimaru T, Mikami M, Tanabe K
Journal of Chemical Physics, 109(6), 2169, 1998