Vibrational band assignments for the chiral modifier cinchonidine: implications for surface studies

Article Abstract:

A comprehensive set of vibrational band assignments is developed for the very important chiral modifier cinchonidine. As the present study demonstrates, even for a molecule as large as cinchonidine, extensive vibrational band assignments may be made using a combination of traditional as well as ab initio approaches.

Chirality, Chemical properties

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Surface processes induced by collisions

Article Abstract:

Collision induced processes (CIP) are important and play a central role in the mechanism governing heterogeneous catalytic processes at pressures and elevated temperatures. A number of different CIPs are discussed with a strong emphasis on the utilization of molecular dynamics (MD) simulations.

Analysis, Observations, Molecular dynamics, Collisions (Physics)

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Role of vibrationally excited NO in promoting electron emission when colliding with a metal surface: A nonadiabatic dynamic model

Article Abstract:

A nonadiabatic quantum dynamic model is developed to study the process of electron emission from a low-work-function metal surface. The reaction mechanism is identified as a long-range harpooning electron transfer to a molecular ion, which is then accelerated toward the surface.

Ions, Electron transport, Electrons, Electron emission

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