화학공학소재연구정보센터
검색결과 : 17건
No. Article
1 On the origin of the Raman band shifts for H-bonded complexes of normal alcohols and 2-butoxyethanol with water: A theoretical DFT and MP2 study
Zhanpeisov NU, Takanashi S, Kajimoto S, Fukumura H
Chemical Physics Letters, 491(4-6), 151, 2010
2 Structure-property correlation of CdSe clusters using experimental results and first-principles DFT calculations
Jose R, Zhanpeisov NU, Fukumura H, Baba Y, Ishikawa M
Journal of the American Chemical Society, 128(2), 629, 2006
3 Experimental and theoretical study of the metallotropic migrations in cyclooctatetraeneosmiumtricarbonyl
Gridnev ID, Zhanpeisov NU, del Rosario MKC
Journal of Physical Chemistry B, 109(25), 12498, 2005
4 Hydrogen bonding versus coordination of adsorbate molecules on Ti-silicalites: A density functional theory study
Zhanpeisov NU, Anpo M
Journal of the American Chemical Society, 126(30), 9439, 2004
5 Interaction of N2O with Ag+ ion-exchanged zeolites: an FT-IR spectroscopy and quantum chemical ab initio and DFT studies
Zhanpeisov NU, Martra G, Ju WS, Matsuoka M, Coluccia S, Anpo M
Journal of Molecular Catalysis A-Chemical, 201(1-2), 237, 2003
6 Theoretical quantum chemical study of tautomerism and proton transfer in 6,8-dithioguanine
Zhanpeisov NU, Cox WW, Leszczynski J
Journal of Physical Chemistry A, 103(23), 4564, 1999
7 Specific solvation effects on the structures and properties of neutral and one-electron oxidized formamidine-formamide complexes. A theoretical ab initio study
Zhanpeisov NU, Leszczynski J
Journal of Physical Chemistry A, 103(41), 8317, 1999
8 The specific solvation effects on the structures and properties of adenine-uracil complexes : A theoretical ab initio study
Zhanpeisov NU, Leszczynski J
Journal of Physical Chemistry A, 102(30), 6167, 1998
9 Reverse Watson-Crick isocytosine-cytosine and guanine-cytosine base pairs stabilized by the formation of the minor tautomers of bases. An ab initio study in the gas phase and in a water cluster
Zhanpeisov NU, Sponer J, Leszczynski J
Journal of Physical Chemistry A, 102(50), 10374, 1998
10 Cluster quantum chemical ab initio study on the interaction of NO molecules with highly dispersed titanium oxides incorporated into silicalite and zeolites
Zhanpeisov NU, Matsuoka M, Yamashita H, Anpo M
Journal of Physical Chemistry B, 102(35), 6915, 1998