Subject area for

Conference Papers Refereed

Contract

Grant
 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 freeradical chemistry: selfterminating 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 HartreeFock calculations for the N2 molecule with finite nuclei
 A xylobiosederived isofagomine lactam glycosidase inhibitor binds as its amide tautomer
 Ab Initio Procedure for AqueousPhase pKa Caluculation: the Acidity of Nitrous Acid
 Alkoxyl Radicals as OSynthons in selfterminating radical oxygenations: An experimental and theoretical study
 Anatomy of relativistic energy corrections in light molecular systems
 Computational Study on the 1,2Rearrangement in β(Nitroxy)vinyl and β(Acetoxy)vinyl Radicals
 Determination of the metaldithiolate fold angle in mononuclear molybdenum(V) centers by EPR spectroscopy
 Dual Orbital Effects in NPhilic Cyclizations of Silyl Radicals onto Imines
 Electronic Structure of the Sulfonyl and Phosphonyl Groups: A Computational and Crystallographic Study
 Mechanistic Insights into NO3. Induced SelfTerminating Radical Oxygenations, Part I: A Computational Study on NO3. and Its Addition to Alkynes.
 On the application of BrillouinWigner perturbation theory to a relativistic and nonrelativistic 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 NPhilic Acyl Radical Cyclizations and Related Addition Reactions
 Structural Studies on alpha Pyrone Cycloadducts. Manifestation of the Early Stages of CO2 Extrusion by retro Hetero DielsAlder 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 1,5transfers of silyl, germyl and stannyl groups of synthetic significance
 Unexpected dual orbital effects in radical addition reactions involving acyl, silyl and related radicals.