검색결과 : 12건
| No. | Article |
|---|---|
| 1 |
수소불화탄소 및 수소염화불화탄소 냉매(R-134a, R-227ea, R-236fa, R-141b)를 이용한 가스 하이드레이트 형성에 관한 계산화학적 해석 김경민, 안혜영, 임준혁, 이제근, 원용선 Korean Chemical Engineering Research, 55(5), 704, 2017 |
| 2 |
A theoretical study of stability and vacancy replenishing of MoO3(010) surfaces in oxygen atmosphere Lei YH, Chen ZX Applied Surface Science, 361, 107, 2016 |
| 3 |
Synthesis, characterization, and theoretical studies on N'-furan-2ylmethylene-N-[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-c hloro-acetic acid hydrazide Demir S, Dincer M, Cukurovali A, Yilmaz I Molecular Crystals and Liquid Crystals, 629(1), 44, 2016 |
| 4 |
Quantum Chemical and Kinetic Study on Polychlorinated Naphthalene Formation from 3-Chlorophenol Precursor Xu F, Shi XL, Zhang QZ International Journal of Molecular Sciences, 16(9), 20620, 2015 |
| 5 |
Vibrational spectra of Ti:C2H4(nH(2)) and Ti:C2H4(nD(2)) (n=1-5) complexes and the equilibrium isotope effect: Calculations and experiment Wadnerkar N, Kalamse V, Phillips AB, Shivaram BS, Chaudhari A International Journal of Hydrogen Energy, 36(16), 9727, 2011 |
| 6 |
Theoretical studies on magnetic interactions of aligned tetrametal system by using hybrid density functional method Kitagawa Y, Nishino M, Kawakami T, Yoshioka Y, Yamaguchi K Molecular Crystals and Liquid Crystals, 376, 347, 2002 |
| 7 |
Chemisorption of molecular oxygen on Cu(100): a Hartree-Fock and density functional study Torras J, Lacaze-Dufaure C, Russo N, Ricart JM Journal of Molecular Catalysis A-Chemical, 167(1-2), 109, 2001 |
| 8 |
Molecular-orbital calculation on the neutral mixed-valent platinum complex [(PtCl2)-Cl-II(en)][(PtCl4)-Cl-IV(en)] Komatsu T, Kojima N Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 342, 139, 2000 |
| 9 |
Theoretical studies on magnetic interactions of dichromium tetraacetate by using hybrid density functional method Kitagawa Y, Soda T, Onishi T, Takano Y, Nishino M, Yoshioka Y, Yamaguchi K Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, 343, 463, 2000 |
| 10 |
Theoretical studies of CO hydrogenation to methanol over Cu, Pd, and Pt metals Au CT, Zhou TJ, Lai WJ Catalysis Letters, 62(2-4), 147, 1999 |