| 1 |
Theoretical Investigation of the Potential-Energy Surface for the Nh2+no Reaction via Density-Functional Theory and Ab-Initio Molecular Electronic-Structure Theory
Diau EW, Smith SC
Journal of Chemical Physics, 106(22), 9236, 1997 |
| 2 |
Theoretical Rate Constants for the Nh3+nox-)Nh2+hnox (X=1, 2) Reactions by Ab-Initio Mo/Vtst Calculations
Mebel AM, Diau EW, Lin MC, Morokuma K
Journal of Physical Chemistry, 100(18), 7517, 1996 |
| 3 |
Temperature-Dependence of Rate Coefficients and Branching Ratios for the Nh2+no Reaction via Microcanonical Variational Transition-State Theory
Diau EW, Smith SC
Journal of Physical Chemistry, 100(30), 12349, 1996 |
| 4 |
Ab-Initio and Rrkm Calculations for Multichannel Rate Constants of the C2H3+o-2 Reaction
Mebel AM, Diau EW, Lin MC, Morokuma K
Journal of the American Chemical Society, 118(40), 9759, 1996 |
| 5 |
Theoretical-Study of H(D)+n2O - Effects of Pressure, Temperature, and Quantum-Mechanical Tunneling on H(D)-Atom Decay and Oh(D)-Radical Production
Diau EW, Lin MC
Journal of Physical Chemistry, 99(17), 6589, 1995 |
| 6 |
Theoretical Aspects of H/N/O-Chemistry Relevant to the Thermal Reduction of No by H-2
Diau EW, Lin MC, He Y, Melius CF
Progress in Energy and Combustion Science, 21(1), 1, 1995 |
| 7 |
A Theoretical-Study of the Ch3+c2H2 Reaction
Diau EW, Lin MC, Melius CF
Journal of Chemical Physics, 101(5), 3923, 1994 |
| 8 |
Kinetics of the Nh2+no Reaction - Effects of Temperature on the Total Rate-Constant and the Oh/H2O Branching Ratio
Diau EW, Yu T, Wagner MA, Lin MC
Journal of Physical Chemistry, 98(15), 4034, 1994 |
