Exploring the accuracy level of new potential energy surfaces for the F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics

Coalescence of metastable states in chemical reactions: double poles of the scattering matrix and exceptional points

(2011) Simonetta Cavalli et al.   THEORETICAL CHEMISTRY ACCOUNTS

Transition-State Spectroscopy of Partial Wave Resonances in the F + HD Reaction

(2010) W. Dong et al.   SCIENCE

Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation†

(2009) D. Skouteris et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Direct quantum mechanical calculation of the F+H2→HF+H thermal rate constant

(2008) Marc Moix et al.   CHEMICAL PHYSICS

A hierarchical construction scheme for accurate potential energy surface generation: An application to the F+H2 reaction

(2008) Bina Fu et al.   JOURNAL OF CHEMICAL PHYSICS

Exact state-to-state quantum dynamics of the F+HD→HF(v′=2)+D reaction on model potential energy surfaces

(2008) Dario De Fazio et al.   JOURNAL OF CHEMICAL PHYSICS

The barrier height of the F+H2 reaction revisited: Coupled-cluster and multireference configuration-interaction benchmark calculations

(2008) Hans-Joachim Werner et al.   JOURNAL OF CHEMICAL PHYSICS

The method of Gaussian weighted trajectories. III. An adiabaticity correction proposal

(2008) L. Bonnet   JOURNAL OF CHEMICAL PHYSICS

Phase-index problem in the semiclassical description of molecular collisions

(2008) L. Bonnet et al.   PHYSICAL REVIEW A

HF(v' = 3) forward scattering in the F + H2 reaction: Shape resonance and slow-down mechanism

(2008) X. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy

(2008) Z. Ren et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA