Works (3)

Updated: July 5th, 2023 15:59

2013 journal article

Reaction pathways for butanoic acid decarboxylation on the (111) surface of a Pd nanoparticle

Surface Science, 607, 130–137.

By: H. Lamb n, L. Sremaniak n & J. Whitten n

author keywords: Configuration interaction theory; Palladium; Fatty acid; Adsorption; Decarboxylation; Transition state; Adsorbed hydrogen
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2003 article

Contributions to the infrared effective charges of oxides and chalcogenides from equilibrium charge and dynamic charge redistribution during normal mode motions

Sremaniak, L. S., Whitten, J. L., Menon, M., & Lucovsky, G. (2003, May 15). APPLIED SURFACE SCIENCE, Vol. 212, pp. 839–843.

By: L. Sremaniak n, J. Whitten n, M. Menon n & G. Lucovsky n

author keywords: non-crystalline oxides and chalcogenides; continuous random networks; infrared active vibrations; infrared effective charges; Ab initio quantum chemistry calculations; normal mode motions
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Photoinduced dissociation of methylnitrite on Ag(111)

SURFACE SCIENCE, 516(3), 254–264.

By: L. Sremaniak n & J. Whitten n

author keywords: surface electronic phenomena (work function, surface potential, surface states, etc.); adsorption kinetics; silver; ab initio quantum chemical methods and calculations
Sources: Web Of Science, ORCID
Added: August 6, 2018