Now showing items 1-10 of 814
The use of infrared kinetic spectroscopy to study small free radicals
The technique of infrared kinetic spectroscopy has been used to study the reaction of the propargyl radical (C3H3) with nitric oxide (NO). The overall rate constant at the high pressure limit for the reaction was determined ...
Diode laser kinetic spectroscopy of formyl
A tunable diode laser infrared high-resolution spectrometer was constructed to study the spectroscopy and kinetics of free radicals. A method for producing diode laser frequency scans which are several wavelengths long, ...
Synthetic studies toward the total synthesis of (+)-anthramycin total syntheses of (+)-neothramycins A and B
Through the serendipitous discovery of a palladium catalyzed conversion of ethylthiol esters to their corresponding aldehydes, the pyrrolo (1,4) benzodiazepine systems found in (+)-anthramycin 1a* and (+)-neothramycins A ...
Synthesis, characterization and magnetic property studies of copper-based phosphate and silicate compounds containing nanosize transition metal oxide frameworks
The search for novel compounds with nanosize transition metal oxide frameworks is important for the study and understanding of materials with interesting and important magnetic and electronic properties. These low-dimensional ...
Synthetic studies towards the total synthesis of discorhabdin C
Two synthetic approaches towards the total synthesis of discorhabdin C (3) are described. The general strategy for construction of azacarbocyclic spiro dienone system is to employ an intramolecular para-phenolic alkylation ...
THE LUNAR EXOSPHERE
Additional insights into the structure and function of adenosine deaminase
Adenosine deaminase is a key enzyme in purine catabolism. The elucidation of the crystal structure and recent analysis of site-directed mutants have provided details on the structure and function of the enzyme. The studies ...
Van der Waals interactions in density functional theory
Various density functional methods have been tested for the van der Waals interactions of the rare gas dimers He$\rm\sb2,\ Ne\sb2$ and Ar$\sb2$ as model compounds. Detailed analysis proved that all tested and commonly used ...
Conjugate gradient density matrix search: A linear scaling alternative to diagonalization
Advances in the computation of the Coulomb, exchange, and correlation contributions to Gaussian-based Hartree-Fock and density functional theory Hamiltonians have demonstrated near-linear scaling with molecular size for ...