Subject area for
Conference Papers Refereed
- Development of new pathways for the oxidative transformation of alkynes into highly reactive carbonyl compounds.
- Environmental stability of nanoscale materials for catalysis and sensing
- Exploring the frontiers of free-radical chemistry: self-terminating radical reactions
- Predicting the Environmental Stability of Nanoparticles in Air
Journal Articles Refereed
- A Density Functional Study of the Electronic Structure and Spin Hamiltonian Parameters of Mononuclear Thiomolybdenyl Complexes
- A comparison of finite difference and finite basis set Hartree-Fock calculations for the N2 molecule with finite nuclei
- A xylobiose-derived isofagomine lactam glycosidase inhibitor binds as its amide tautomer
- Ab Initio Procedure for Aqueous-Phase pKa Caluculation: the Acidity of Nitrous Acid
- Alkoxyl Radicals as O-Synthons in self-terminating radical oxygenations: An experimental and theoretical study
- Anatomy of relativistic energy corrections in light molecular systems
- Computational Study on the 1,2-Rearrangement in β-(Nitroxy)vinyl and β-(Acetoxy)vinyl Radicals
- Determination of the metal-dithiolate fold angle in mononuclear molybdenum(V) centers by EPR spectroscopy
- Dual Orbital Effects in N-Philic Cyclizations of Silyl Radicals onto Imines
- Electronic Structure of the Sulfonyl and Phosphonyl Groups: A Computational and Crystallographic Study
- Mechanistic Insights into NO3. Induced Self-Terminating Radical Oxygenations, Part I: A Computational Study on NO3. and Its Addition to Alkynes.
- On the application of Brillouin-Wigner perturbation theory to a relativistic and non-relativistic hydrogenic model problem
- Oxidation of Aromatic Alkynes with Nitrate Radicals (NO3.): An Experimental and Computational Study on a Synthetically Highly Versatile Radical.
- Polysilane and related radical rearrangements: an ab initio study of (1,2)-silyl, germyl and stannyl translocations in radicals derived from trisilanes and related species
- Radicals Masquerading as Electrophiles: Dual Orbital Effects in N-Philic Acyl Radical Cyclizations and Related Addition Reactions
- Structural Studies on alpha Pyrone Cycloadducts. Manifestation of the Early Stages of CO2 Extrusion by retro Hetero Diels-Alder Reaction
- The Dirac Equation in the algebraic approximation. VII. A comparison of molecular finite difference and finite basis set calculations using distributed Gaussian basis sets
- Understanding homolytic translocation chemistry - An ab initio study of some 1,5-transfers of silyl, germyl and stannyl groups of synthetic significance
- Unexpected dual orbital effects in radical addition reactions involving acyl, silyl and related radicals.