Now showing items 41-50 of 180
Exchange energy calculation of He-He with supermolecular one-matrix
(Brock University, 1982-07-09)
Exch~nge energy of the He-He system is calculated using the one-density matrix which has been modified according to the supermolecular density formula quoted by Kolos. The exchange energy integrals are computed analytically ...
Analysis Of The A11a22 X 11a11 And A 33a22 X 1 electronic transitions in selenocarbonyl difluoride
(Brock University, 1982-10-02)
The absorption spectrum of F2CSe in the 18800-21900 cm-1 region has been recorded at -770 C and 220 C under the conditions of medium resolution. The responsible electronic promotion is TI* + n excitation which leads to ...
Experimental and Computational Studies on Copper and Hydrobenzoin Derivatives in Catalytic Asymmetric Reactions
The use of theory to understand and facilitate catalytic enantioselective organic transformations involving copper and hydrobenzoin derivatives is reported. Section A details the use of theory to predict, facilitate, ...
Chemoenzymatic Synthesis of ent-Neopinone
The present thesis describes the chemoenzymatic synthesis of ent-neopinone. The total synthesis of neopinone was accomplished in 14 steps from B-bromoethylbenzene. The synthesis began with a microbial oxidation ...
Application of thermal ion-molecule reactions in tackling spectroscopic inferences in inductively coupled plasma mass spectrometry
Part I: Ultra-trace determination of vanadium in lake sediments: a performance comparison using O2, N20, and NH3 as reaction gases in ICP-DRC-MS Thermal ion-molecule reactions, targeting removal of specific spectroscopic ...
Investigation of molecular polarizabilities and derivatives in halomethanes
(Brock University, 1993-07-09)
The research undertaken was to obtain absolute Raman intensities for the symmetric stretching vibrations of the methyl halides, CH3X with (X=F, CI, Br), by experiment and theory. The intensities were experimentally ...
The chemistry of heterocyclic methine bases and of their acyl and thioacyl derivatives
(Brock University, 1987-07-09)
The work described in this thesis has been dtvided into six sections . The first section involves the reaction of 3,5-diphenyl-2-methyl-l,3,4-oxadiazolium perchlorate with acetic and benzoic anhydrides. The second ...
A time-resolved electron paramagnetic resonance spectroscopy study of paramagnetic porphyrins /
(Brock University, 2004-07-14)
There is considerable interest in intramolecular energy transfer, especially in complexes which absorb visible light, because it is crucial to the better understanding of photoharvesting systems in photosynthetic organisms ...
Synthesis of 4-hydroxycinnamic amides of di-, tri-, and tetraamines : potential insect toxins /
(Brock University, 2000-05-21)
The monoconjugates of phenolic acids (i.e. coumaric acid) with polyamines such as spermidine and spermine are strikingly similar to some toxins from spiders and predatory wasps. Many plants contain phenolic acid ...
Synthesis of photoaffinity analogues of alpha-tocopherol /
(Brock University, 1999-05-21)