The major research interests of Prof. Daiqian Xie focus
on theories and computation of potential energy surfaces
and bounds and quasibound rovibrational states of molecules,
photodissociation dynamics and molecular collisions. The
projects currently underway are time-independent theory
of photodissociation dynamics and cumulative reaction probabilities,
accurate ab inito potential energy surface of small molecules
and Van der Waals complexes, vibrations of small molecules
from solid surface.
Recent
Papers
Sun,ZG,Zhang,DH, Xu.CX,Zhou.SL,Xie.DQ,et.al
State-to-State Dynamics of H + O2 Reaction, Evidence for Nonstatistical Behavior
J. Am. Chem. Soc , Published Online(2008).
Wang XG, Dong WR, Xiao CL, Che L, Ren ZF, Dai DX, Wang XY, Casavecchia P, Yang XM, Jiang B, Xie DQ.et.al
The extent of non-Born-Oppenheimer coupling in the reaction of Cl(P-2) with para-H-2
Science 322, 573(2008).
Xie, DQ ; Ran, H ; Zhou, Y
Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on one intramolecular vibrational coordinate
Int.Rev.Phys.Chem 26, 487 (2007).
Zhang, L ; Xie, D ; Xu, D ; Guo, H
Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate
Chem.Commun 16, 1638 (2007).
M. Qiu,
Z. Ren, L. Che, D. Dai, S. A. Harich, X. Wang, X. Yang*,
C. Xu, D. Xie*, M. Gustafsson, R. T. Skodje, Z. Sun, and
D. H. Zhang*
Observation of Feshbach Resonances in the F+H2->HF
+H Reaction
Science 311, 1440 (2006).
Other Recent Papers
|
