Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the O +OH(n...
An ab initio study of the ground potential energy surface (PES) of the O(1D)+CH4→OH+CH3 reaction has...
We present reaction probabilities, branching ratios and vibrational product quantum state distributi...
The state-to-state quantum dynamics calculation for the reaction $\text{O}^{+}+\text{H}_{2} \to \tex...
We have studied the isotopic branching ratio of the title reaction using quasiclassical trajectory m...
Quantum dynamical calculations are reported for the title reaction, for both product arrangement cha...
A time-dependent quantum dynamics calculation is reported for the O(nD)+ H 2 reaction in three dimen...
The real wave packet method is used to calculate reaction probabilities and product quantum state di...
We survey the recent advances in theoretical understanding of quantum state resolved dynamics, using...
Firstly, a full quantum dynamical study of the H+H2OH2+OH reaction for some initial states o...
In the present work, the long-range interaction potential part of potential energy surface (PES) of ...
A PA5D (potential averaged 5D) TD (time-dependent) quantum wave-packet calculation is reported for t...
Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the ...
The O + H2 reaction is a particular example to alert the importance of a clear definition of the qua...
Six-dimensional (6D) quantum scattering calculations of reaction probabilities are reported for the ...
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the O +OH(n...
An ab initio study of the ground potential energy surface (PES) of the O(1D)+CH4→OH+CH3 reaction has...
We present reaction probabilities, branching ratios and vibrational product quantum state distributi...
The state-to-state quantum dynamics calculation for the reaction $\text{O}^{+}+\text{H}_{2} \to \tex...
We have studied the isotopic branching ratio of the title reaction using quasiclassical trajectory m...
Quantum dynamical calculations are reported for the title reaction, for both product arrangement cha...
A time-dependent quantum dynamics calculation is reported for the O(nD)+ H 2 reaction in three dimen...
The real wave packet method is used to calculate reaction probabilities and product quantum state di...
We survey the recent advances in theoretical understanding of quantum state resolved dynamics, using...
Firstly, a full quantum dynamical study of the H+H2OH2+OH reaction for some initial states o...
In the present work, the long-range interaction potential part of potential energy surface (PES) of ...
A PA5D (potential averaged 5D) TD (time-dependent) quantum wave-packet calculation is reported for t...
Fully quantum state-resolved OD angular scattering and kinetic energy release distributions for the ...
The O + H2 reaction is a particular example to alert the importance of a clear definition of the qua...
Six-dimensional (6D) quantum scattering calculations of reaction probabilities are reported for the ...
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the O +OH(n...
An ab initio study of the ground potential energy surface (PES) of the O(1D)+CH4→OH+CH3 reaction has...
We present reaction probabilities, branching ratios and vibrational product quantum state distributi...