The work on the NH + NO system which was described in the last progress report was written up and a draft of the manuscript is included in the appendix. The appendix also contains a draft of a manuscript on an Ar + H + H surface. New work which was completed in the last six months includes the following: (1) calculations on the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product channels in the CH3 + OH reaction; (2) calculations for the NH2 + O reaction; (3) calculations for the CH3 + O2 reaction; and (4) calculations for CH3O and the two decomposition channels--CH2OH and H + H2CO. Detailed descriptions of this work will be given in manuscripts; however, brief descriptions of the CH3 + OH and CH3 + O2 projects are given
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...
The production mechanism and dynamics of the HNC molecule from the radical-radical CH + NH reaction ...
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...
A manuscript describing the calculations on the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product chann...
A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This s...
The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O,...
The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI cal...
Quantum mechanical methods have been used to compute potential energy surfaces for chemical reaction...
The calculation of potential energy surfaces for chemical reactions was the focus of investigation. ...
The AM1 and PM3 molecular orbital methods have been utilized to investigate the reactions of CH20H w...
This work presents ab initio electronic structure calculations of the two possible N(4S) + NO(X2) ab...
One of the primary goals of NASA's high-speed research program is to determine the feasibility of de...
Astrochemical surface reactions are thought to be responsible for the formation of complex organic m...
We present a new potential energy surface (called G3) for the chemical reaction Cl + H2 → HCl + H. T...
Interpolatedab initiopotential energy surfaces which describe abstraction and exchange reactions in ...
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...
The production mechanism and dynamics of the HNC molecule from the radical-radical CH + NH reaction ...
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...
A manuscript describing the calculations on the (1)CH2 + H2O, H2 + HCOH, and H2 + H2CO product chann...
A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This s...
The potential energy surface (PES) for the CH3OH system has been characterized for the (1)CH2 + H2O,...
The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI cal...
Quantum mechanical methods have been used to compute potential energy surfaces for chemical reaction...
The calculation of potential energy surfaces for chemical reactions was the focus of investigation. ...
The AM1 and PM3 molecular orbital methods have been utilized to investigate the reactions of CH20H w...
This work presents ab initio electronic structure calculations of the two possible N(4S) + NO(X2) ab...
One of the primary goals of NASA's high-speed research program is to determine the feasibility of de...
Astrochemical surface reactions are thought to be responsible for the formation of complex organic m...
We present a new potential energy surface (called G3) for the chemical reaction Cl + H2 → HCl + H. T...
Interpolatedab initiopotential energy surfaces which describe abstraction and exchange reactions in ...
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...
The production mechanism and dynamics of the HNC molecule from the radical-radical CH + NH reaction ...
We compute a new potential energy surface (PES) for the study of the inelastic collisions between N2...