Kinetic isotope effect of the 16O + 36O2 and 18O + 32O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study

Quantum dynamics of 16O + 36O2 and 18O + 32O2 exchange reactions

(2015) T. Rajagopala Rao et al.   JOURNAL OF CHEMICAL PHYSICS

State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method

(2015) Wenbo Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Huge Quantum Symmetry Effect in the O + O2 Exchange Reaction

(2015) Tammineni Rajagopala Rao et al.   Journal of Physical Chemistry Letters

Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients

(2014) Yaqin Li et al.   JOURNAL OF CHEMICAL PHYSICS

The non-statistical dynamics of the 18O + 32O2 isotope exchange reaction at two energies

(2014) Annalise L. Van Wyngarden et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrödinger Equation in the Time-Dependent Wavepacket Approach

(2014) Wentao Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Does the “Reef Structure” at the Ozone Transition State towards the Dissociation Exist? New Insight from Calculations and Ultrasensitive Spectroscopy Experiments

(2014) Vl. G. Tyuterev et al.   PHYSICAL REVIEW LETTERS

Global permutationally invariant potential energy surface for ozone forming reaction

(2013) Mehdi Ayouz et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: An accurate global potential energy surface for the ground electronic state of ozone

(2013) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

On molecular origin of mass-independent fractionation of oxygen isotopes in the ozone forming recombination reaction

(2013) M. V. Ivanov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

(2012) Maxence Lepers et al.   JOURNAL OF CHEMICAL PHYSICS

Higher-order split operator schemes for solving the Schrödinger equation in the time-dependent wave packet method: applications to triatomic reactive scattering calculations

(2012) Zhigang Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Communication: Highly accurate ozone formation potential and implications for kinetics

(2011) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

The infrared spectrum of cyclic-N3: Theoretical prediction

(2010) Dmitri Babikov et al.   JOURNAL OF CHEMICAL PHYSICS

Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates

(2010) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Towards quantum mechanical description of the unconventional mass-dependent isotope effect in ozone: Resonance recombination in the strong collision approximation

(2009) S. Yu. Grebenshchikov et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations

(2009) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions

(2009) Z. Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA