David H. Setiadi

Towards the rational design of palladium-N-heterocyclic carbene catalysts by a combined experimental and computational approach

Christopher J. O’Brien, Eric Assen B. Kantchev, Gregory A. Chass et al. · Tetrahedron · 2005 · 123 citations

Natural Sciences, Chemical Engineering, Chemistry +17

Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH₂by RHF, DFT, and MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data

Gregory A. Chass, Reinard S. Mirasol, David H. Setiadi et al. · The Journal of Physical Chemistry A · 2005 · 33 citations

Natural Sciences, Biochemistry, Chemistry +17

First Principle Computational Study on the Full Conformational Space of <scp>l</scp>-Proline Diamides

Michelle A. Sahai, Tara Kehoe, Joseph C.P Koo et al. · The Journal of Physical Chemistry A · 2005 · 33 citations

Natural Sciences, Biochemistry, Chemistry +14

Vitamin E models. Shortened sidechain models of α, β, γ and δ tocopherol and tocotrienol—a density functional study

David H. Setiadi, Gregory A. Chass, László Torday et al. · Journal of Molecular Structure THEOCHEM · 2003 · 23 citations

Life Sciences, Biochemistry, Nutritional Sciences +16

Vitamin E models. Can the anti-oxidant and pro-oxidant dichotomy of α-tocopherol be related to ionic ring closing and radical ring opening redox reactions?

David H. Setiadi, Gregory A. Chass, László Torday et al. · Journal of Molecular Structure THEOCHEM · 2003 · 20 citations

Life Sciences, Biochemistry, Redox Biochemistry +14