The sudden vector projection model for reactivity: Mode specificity and bond selectivity made simple
Conspectus Mode specificity is defined by the differences in reactivity due to excitations in
various reactant modes, while bond selectivity refers to selective bond breaking in a …
various reactant modes, while bond selectivity refers to selective bond breaking in a …
State-resolved probes of methane dissociation dynamics
A new generation of experimental techniques quantifies the gas–surface reactivity of
polyatomic reactants prepared in a single quantum state. These experiments eliminate …
polyatomic reactants prepared in a single quantum state. These experiments eliminate …
Do Vibrational Excitations of CHD3 Preferentially Promote Reactivity Toward the Chlorine Atom?
The influence of vibrational excitation on chemical reaction dynamics is well understood in
triatomic reactions, but the multiple modes in larger systems complicate efforts toward the …
triatomic reactions, but the multiple modes in larger systems complicate efforts toward the …
Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector …
To provide a systematic and rigorous re-examination of the well-known Polanyi's rules,
excitation functions of several A+ BC (v= 0, 1) reactions are determined using the …
excitation functions of several A+ BC (v= 0, 1) reactions are determined using the …
Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity
Dissociative chemisorption is the initial and often rate-limiting step in many heterogeneous
processes. As a result, an in-depth understanding of the reaction dynamics of such …
processes. As a result, an in-depth understanding of the reaction dynamics of such …
Quasiclassical trajectory calculations of correlated product distributions for the F+ CHD3 (v1=, 1) reactions using an ab initio potential energy surface
We report quasiclassical trajectory (QCT) calculations of the correlated product distributions
and branching ratios of the reactions F+ CHD 3 (v 1= 0, 1)→ HF (v)+ CD 3 (v) and DF (v)+ …
and branching ratios of the reactions F+ CHD 3 (v 1= 0, 1)→ HF (v)+ CD 3 (v) and DF (v)+ …
State-Resolved Gas-Surface Reactivity of Methane<? format?> in the Symmetric CH Stretch Vibration on Ni (100)
The state-resolved reactivity of CH 4 in its totally symmetric CH stretch vibration (ν 1) has
been measured on a Ni (100) surface. Methane molecules were accelerated to kinetic …
been measured on a Ni (100) surface. Methane molecules were accelerated to kinetic …
Connecting chemical dynamics in gases and liquids
CG Elles, FF Crim - Annu. Rev. Phys. Chem., 2006 - annualreviews.org
▪ Abstract Modern ultrafast spectroscopic techniques provide new opportunities to study
chemical reaction dynamics in liquids and hold the possibility of obtaining much of the same …
chemical reaction dynamics in liquids and hold the possibility of obtaining much of the same …
Rotational mode specificity in the Cl+ CHD3→ HCl+ CD3 reaction
Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction | The Journal of Chemical
Physics | AIP Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt Text Close …
Physics | AIP Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt Text Close …
Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy …
The dynamics of a combustion reaction, namely, O (3P)+ CH4→ OH+ CH3, is investigated
with an eight-dimensional quantum model that includes representatives of all vibrational …
with an eight-dimensional quantum model that includes representatives of all vibrational …