Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations

Photochemical reactions of the low-lying excited states of formaldehyde: T1/S0 intersystem crossings, characteristics of the S1 and T1 potential energy surfaces, and a global T1 potential energy surface

(2009) Peng Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Photochemical formation of HCO and CH3 on the ground S0 (A1′) state of CH3CHO

(2009) Brianna R. Heazlewood et al.   JOURNAL OF CHEMICAL PHYSICS

Three Reaction Pathways in the H + HCO → H2+ CO Reaction†

(2009) Kurt M. Christoffel et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Roaming Atoms and Radicals: A New Mechanism in Molecular Dissociation

(2008) Arthur G. Suits   ACCOUNTS OF CHEMICAL RESEARCH

A survey of factors contributing to accurate theoretical predictions of atomization energies and molecular structures

(2008) David Feller et al.   JOURNAL OF CHEMICAL PHYSICS

“Roaming” Dynamics in CH3CHO Photodissociation Revealed on a Global Potential Energy Surface†

(2008) Benjamin C. Shepler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Extended Conical Intersection Seam Associated with a Manifold of Decay Paths: Excited-State Intramolecular Proton Transfer inO-Hydroxybenzaldehyde

(2008) Annapaola Migani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Further aspects of the roaming mechanism in formaldehyde dissociation

(2007) S.A. Lahankar et al.   CHEMICAL PHYSICS

Hydrogen-atom production channels of acetaldehyde photodissociation: Direct DFT molecular dynamics study

(2007) Yuzuru Kurosaki   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM