An analysis of the photoelectron and Rydberg states of formaldehyde /|nby Carol R. Lessard. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,

Although it is generally accepted that Rydberg orbitals are very large and diffuse, and that electron promotion to a Rydberg orbital is not too different from ionization of the molecule, analysis of the two types of transitions proves otherwise. The photoelectron spectrum of the 2B2 (n) ion has very little vibrational structure attached to the origin band; on the other hand, several of the Rydberg transitions which involve the promotion of the n(bZ) electron exhibit a great deal of vibrational activity. In particular, the members of the n=3 Rydberg\ series interact with and perturb each other through pseudo-Jahn-Teller vibronic coupling. The vacuum ultraviolet spectrum contains a number of features which are difficult to explain, and two unusually sharp bands can only be identified as representing some form of electron promotion in formaldehyde.

An application of cell-cluster theory to a rare gas crystal /|n[by] K. Westera. - 260 St. Catharines [Ont.] : Dept. of Physics, Brock University,

The Lennard-Jones Devonshire 1 (LJD) single particle theory for liquids is extended and applied to the anharmonic solid in a high temperature limit. The exact free energy for the crystal is expressed as a convergent series of terms involving larger and larger sets of contiguous particles called cell-clusters. The motions of all the particles within cell-clusters are correlated to each other and lead to non-trivial integrals of orders 3, 6, 9, ... 3N. For the first time the six dimensional integral has been calculated to high accuracy using a Lennard-Jones (6-12) pair interaction between nearest neighbours only for the f.c.c. lattice. The thermodynamic properties predicted by this model agree well with experimental results for solid Xenon.

A study of thermal decompositions of an allylic hydroperoxide /|nby Thomas A. McCarrick. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,

The thermal decomposition of 2,3-di~ethy l - J-hydr operox y- 1 - butene , p r epared f rol") singl e t oxygen, has been studied i n three solvents over the tempe r a ture r ange from 1500e to l o00e and t!1e i 111 t ial ~oncentrfttl nn r Ange from O. 01 M to 0.2 M. Analys i s of the kine tic data ind ica te s i nduced homolysis as the n ost probRble mode of d e composition, g iving rise to a 3/2 f S order dependence upon hy d.roperoxide concent :r8.tl on . Experimental activation e nergies for the decomposition were f ound to be between 29.5 kcsl./raole and 30.0 k cal./mole .• \,iith log A factors between 11 . 3 and 12.3. Product studies were conducted in R variety of solvents a s well as in the pr esence of a variety of free r adical initiators . Investigation of the kinetic ch a in length indicated a chain length of about fifty. A degenerat i ve chain branching mechanism 1s proposed which predicts the multi t ude of products which Rre observed e xperimentally as well as giving activation energies and log A factors si~il a r to those found experimentally .

Reduced local energy calculations on X¹Sigmaâ ½gHâ and 1¹S He /|nGerald F. Thomas. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,

The one-electron reduced local energy function, t ~ , is introduced and has the property < tL)=(~>. It is suggested that the accuracy of SL reflects the local accuracy of an approximate wavefunction. We establish that <~~>~ <~2,> and present a bound formula, E~ , which is such that where Ew is Weinstein's lower bound formula to the ground state. The nature of the bound is not guaranteed but for sufficiently accurate wavefunctions it will yield a lower bound. ,-+ 1'S I I Applications to X LW Hz. and ne are presented.

The crystal and molecular structure of thiamine hydroiodide /|nWilliam Edward Lee. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,

The x-ray crystal structure of thiamine hydroiodide,C1ZH18N40S12' has been determined. The unit cell parameters are a = 13.84 ± 0.03, o b = 7.44 ± 0.01, c = 20.24 ± 0.02 A, 8 = 120.52 ± 0.07°, space group P2/c, z = 4. A total of 1445 reflections having ,2 > 2o(F2), 26 < 40° were collected on a Picker four-circle diffractometer with MoKa radiation by the 26 scan technique. The structure was solved by the heavy atom method. The iodine and sulphur atoms were refined anisotropically; only the positional parameters were refined for the hydrogen atoms. Successive least squares cycles yielded an unweighted R factor of 0.054. The site of protonation of the pyrimidine ring is the nitrogen opposite the amino group. The overall structure conforms very closely to the structures of other related thiamine compounds. The bonding surrounding the iodine atoms is distorted tetrahedral. The iodine atoms make several contacts with surrounding atoms most of them at or near the van der Waal's distances A thiaminium tetrachlorocobaltate salt was produced whose molecular and crystal structure was j~dged to be isomorphous to thiaminium tetrachlorocadmate.

The diffusion of Co⠶溩 Zrâ â Tiâ â alloy /|nS. Kumar. -- 260 St Catharines [Ont.] : Dept. of Physics, Brock University,

The diffusion of Co60 in the body centered cubic beta phase of a ZrSOTi SO alloy has been studied at 900°, 1200°, and 1440°C. The results confirm earlier unpublished data obtained by Kidson17 • The temperature dependence of the diffusion coefficient is unusual and suggests that at least two and possibly three mechanisms may be operative Annealing of the specimen in the high B.C.C. region prior to the deposition of the tracer results in a large reduction in the diffusion coefficient. The possible significance of this effect is discussed in terms of rapid transport along dislocation network.

Structural studies in the Southern Province, South of Sudbury, Ontario

Rocks correlated with the Hough Lake and Quirke Lake Groups of the Huronian Supergroup form part of a northeasterly trending corridor that separates 1750 Ma granitic intrusive rocks of the Chief Lake batholith from the 1850 Ma mafic intrusive rocks of the Sudbury Igneous Complex. This corridor is dissected by two major structural features; the Murray Fault Zone (MFZ) and the Long Lake Fault (LLF). Detailed structural mapping and microstructural analysis indicates that the LLF, which has juxtaposed Huronian rocks of different deformation style and metamorphism grade, was a more significant plane of dislocation than the MFZ. The sense of displacement along the LLF is high angle reverse in which rocks to the southeast have been raised relative to those in the northwest. South of the LLF Huronian rocks underwent ductile defonnation at amphibolite facies conditions. The strain was constrictional, defined by a triaxial strain ellipsoid in which X > Y > z. Calculations of a regional k value were approximately 1.3. Penetrative ductile defonnation resulted in the development of a preferred crystallographic orientation in quartz as well as the elongation of quartz grains to fonn a regional southeast-northwest trending, subvertical lineation. Similar lithologies north of the LLF underwent dominantly brittle deformation under greenschist facies conditions. Deformation north of the LLF is characterized by the thrusting of structural blocks to form angular discordances in bedding orientation which were previously interpreted as folds. Ductile deformation occurred between 1750 and 1238 Ma and is correlated with a regional period of south over north reverse faulting that effected much of the southern Sudbury region. Post dating the reverse faulting event was a period of sedimentation as a conglomerate unit was deposited on vertically bedded Huronian rocks. Rocks in the study area were intruded by both mafic and felsic dykes. The 1238 Ma mafic dykes appear to have been offset during a period of dextral strike slip displacement along the major fault'). Indirect evidence indicates that this event occurred after the thrusting at 950 to 1100 Ma associated with the Grenvillian Orogeny.

The genetics of glucosamine resistance in yeast /

Thesis (M. Sc.) - Brock University, 1975.

Investigations on the production of long chain fatty acids in Choanephora cucurbitarum (Berk. & Rav.) Thaxte

Thesis (M.Sc.)--Brock University, 1979.

On the Ewald method and the quartic Helmholtz free energy of an anharmonic metallic crystal

Thesis (M. Sc.) - Brock University, 1978.

Correspondence between the American and British Plentipotentiaries relative to the commercial convention concluded on the 3rd of July, 1815.--

January 16, 1816.

Important state papers : declaration of war, Washington, June 18, 4 o'clock, P.M.

Message to the Senate and House of Representatives of the United States / James Madison -- Report : the Committee on Foreign relations, to whom was referred the message of the President of the United States of the 1st of June, 1812 -- An Act, declaring war between the United Kingdom of Great Britain and Ireland and the dependencies thereof, and the United States of America and their territories -- Address of the Senate to the people of the Commonwealth of Massachusetts.

Letter from the Secretary of State to Mr. Monroe, on the subject of the attack on the Chesapeake : the correspondence of Mr. Monroe with the British Government ; and also Mr. Madison's correspondence with Mr. Rose on the same subject. --

March 23, 1808. Printed by order of the House of Representatives.

Message from the President of the United States, transmitting documents relative to the commencement and progress of any acts or system of retaliation upon prisoners of war, by the Governments of Great Britain and the United States. --

13th Congress, 3d session. House. Doc. no. 13.