2002 theory, structure

theory, structureC 1000

31 - 001Theoretical Study of the Validity of the Born–Oppenheimer Ap-proximation in the Cl + H2→HCl + H Reaction. — Basedon new ab initio potential energy surfaces and exact quantum scatteringcalculations it is predicted that the Born-Oppenheimer-allowed reaction ofthe ground spin-orbit state is much more efficient for the title reaction thanthe Born-Oppenheimer-forbidden reaction of the excited spin-orbit state.— (ALEXANDER, MILLARD H.; CAPECCHI, GABRIELLA; WERNER,HANS-JOACHIM; Science (Washington, D. C.) 296 (2002) 5568, 715-718; Dep.Chem. Biochem., Univ. Md., College Park, MD 20742, USA; EN)

1