화학공학소재연구정보센터
검색결과 : 79건
No. Article
61 Striving to understand the photophysics and photochemistry of thiophosgene: A combined CASSCF and MR-Cl study
Lin L, Zhang F, Ding WJ, Fang WH, Liu RZ
Journal of Physical Chemistry A, 109(4), 554, 2005
62 The role of charge transfer in the hydrogen bond cooperative effect of cis-N-methylfortnamide oligomers
Tan HW, Qu WW, Chen GJ, Liu RZ
Journal of Physical Chemistry A, 109(28), 6303, 2005
63 Theoretical investigation of the self-assembly of cyclo[(-beta(3)-HGly)(4)-]
Tan HW, Qu WW, Chen GJ, Liu RZ
Chemical Physics Letters, 369(5-6), 556, 2003
64 A combined CASSCF and TDDFT study on the structures and properties of formyl cyanide in low-lying electronic states
Ding WJ, Fang WH, Liu RZ
Chemical Physics Letters, 369(5-6), 570, 2003
65 Theoretical studies on one-dimensional polymers constructed from D-2d C-36 molecules
Du SX, Huang YH, Liu RZ
Chemical Physics Letters, 380(3-4), 372, 2003
66 Selective oligomerization of nitriles having alpha-hydrogen catalyzed by alkali
Tao XC, Liu TP, Tao H, Liu RZ, Qian YL
Journal of Molecular Catalysis A-Chemical, 201(1-2), 155, 2003
67 An ab initio study of potential energy surfaces of CH3COCN dissociation on the low-lying states
Ding WJ, Fang WH, Liu RZ
Chemical Physics Letters, 351(1-2), 9, 2002
68 Selectivity of the alpha and beta bond fissions for bromoacetyl chloride upon n ->pi(*) excitation: A combined complete-active-space self-consistent field and multireference configuration interaction study
Ding WJ, Fang WH, Liu RZ, Fang DC
Journal of Chemical Physics, 117(19), 8745, 2002
69 Theoretical studies of monomer and dimer of cyclo[(-L-Phe(1)-D-Ala(2)-)(n)] and cyclo[(-L-Phe(1)-D-N-Me-Ala(2-))(n)] (n=3-6)
Chen GJ, Su SJ, Liu RZ
Journal of Physical Chemistry B, 106(7), 1570, 2002
70 Stabilities and electronic properties of two-dimensional C-36 crystals
Du SX, Huang YH, Li YX, Liu RZ
Journal of Physical Chemistry B, 106(16), 4098, 2002