Publications
2011
Ab Initio and RRKM Study of the HCN/HNC Elimination Channels from Vinyl Cyanide
Allenes as Three-Carbon-Atom Components in Catalytic Cicloadditions. New Opportunities with Transition Metal Catalysts
NMR methods for unravelling the spectra of complex mixtures
Silica-Supported Aluminum Chloride-Assisted Solution Phase Synthesis of Pyridazinone-Based Antiplatelet Agents
Convergent Assembly of Structurally Diverse Quinazolines
High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen
The CCSD(T) model with Cholesky decomposition of orbital energy denominators
Development of transition metal-catalyzed cycoladdition reactions leading to polycarbocyclic systems
Pyrimidine Derivatives as Potent and Selective A3 Adenosine Receptor Antagonists
Importance of electron correlation effects and basis set superposition error in calculations of interaction energies and interaction induced electric properties in hydrogen-bonded complexes: A model study