71 |
"Triplet-excited region" in polyene oligomers revisited: Pariser-Parr-Pople model studied with the density matrix renormalization group method Ma HB, Liu CG, Jiang YS Journal of Chemical Physics, 120(19), 9316, 2004 |
72 |
Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method Li SH, Ma J, Jiang YS Journal of Chemical Physics, 118(13), 5736, 2003 |
73 |
A density functional theory study on the intramolecular proton transfer in the enzyme carbonic anhydrase Chen H, Li SH, Jiang YS Journal of Physical Chemistry A, 107(23), 4652, 2003 |
74 |
Effects of substitution on the singlet-triplet energy splittings and ground-state multiplicities of m-phenylene-based diradicals: A density functional theory study Zhang GB, Li SH, Jiang YS Journal of Physical Chemistry A, 107(29), 5573, 2003 |
75 |
Formation mechanisms and packing structures of alkoxyl and alkyl monolayers on Si(111): Theoretical studies with quantum chemistry and molecular simulation models Pei Y, Ma J, Jiang YS Langmuir, 19(18), 7652, 2003 |
76 |
Effects of silole content and doping on the electronic structures and excitation energies of silole/thiophene cooligomers Zhang GL, Ma J, Jiang YS Macromolecules, 36(6), 2130, 2003 |
77 |
An MP2 study of linear polarizabilities and second-order hyperpolarizabilities for centrosymmetric squaraines Yang ML, Li SH, Ma J, Jiang YS Chemical Physics Letters, 354(3-4), 316, 2002 |
78 |
Mesoscopic simulation study on phase diagram of the system oil/water/aerosol OT Yuan SL, Cai ZT, Xu GY, Jiang YS Chemical Physics Letters, 365(3-4), 347, 2002 |
79 |
The valence bond study for benzenoid hydrocarbons of medium to infinite sizes Gao Y, Liu CG, Jiang YS Journal of Physical Chemistry A, 106(11), 2592, 2002 |
80 |
Electronic structure of thiophene oligomer dications: An alternative interpretation from the spin-unrestricted DFT study Gao Y, Liu CG, Jiang YS Journal of Physical Chemistry A, 106(21), 5380, 2002 |