Series 6 - Articles
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Home Provenance Series List Abbreviations Index Search |
| Date Range | 1950 - 1988 |
| Provenance | Andrew Crowther Hurley |
| Description | Reprints, draft manuscripts, working notes and calculations, graphs, correspondence. Files arranged by publication order - see bibliography Note: The numbers in {} refer to the numbers of the articles in the bibliography published as part of an article on ACH by V.W. Maslen titled: On the contribution of A.C. Hurley to theoretical chemistry, International Journal of Quantum Chemistry, vol.31 1987, pp.339-343. Further working papers, in particular notes and calculations, relating to some of the articles can be found in Series 12. The records in Series 12 are being held on a temporary basis pending further review and have not been listed in detail. The files in Series 12 are labelled with the file numbers from this series to which they are related. |
Inventory Listing
| 6-1 |
{1} Finite Rotation Groups and Crystal Classes in Four Dimensions
Reprint from Proceedings of the Cambridge Philosophical Society vol.47 part 4 1951, pp.650-661; communicated by P. A. M. Dirac; 2 copies. Also manuscript notes labelled: Appendix Part 1 Character Relations, and Appendix Part 2 Construction of Groups (calculations for values in tables in final paper?) Date Range 1951 Quantity 2.4 cm,Inventory Identifier 6-1 Box Number 6 Series 6 |
| 6-2 |
{2-6} The Molecular Orbital Theory of Chemical Valency XII-XVI
Nos. XIII, XIV and XVI (photocopy) only. Reprints from Proceedings of the Royal Society, A vol. 216 1953, pp.424-433, vol.218 1953, pp.327-333 and vol.220 1953, pp.446-455; communicated or co-authored by J. Lennard-Jones Date Range 1953 Quantity 0.2 cm,Inventory Identifier 6-2 Box Number 6 Series 6 |
| 6-3 |
{7-9} The Electronic Calculation of Molecular Energies I-III
Reprints from Proceedings of the Royal Society, A vol.226 1954 pp.170-178, vol.226 1954 pp.179-192, vol.226 1954 pp.193-205; communicated by J. Lennard-Jones. Includes manuscript notes and graphs Date Range 1954 Quantity 0.4 cm,Inventory Identifier 6-3 Box Number 6 Series 6 |
| 6-4 |
{10} On the Method of Atoms in Molecules
Reprint (2 copies) from Proceedings of the Physical Society, A vol.68 1955 pp.149-155; communicated by A. L. G. Rees; manuscript and typescript drafts; figures and graphs; notes and calculations; correspondence with H. H. Hopkins regarding alterations to the paper Date Range 1955 Quantity 0.5 cm,Inventory Identifier 6-4 Box Number 6 Series 6 |
| 6-5 |
{11} On the Method of Atoms in Molcules II: An Intra-Atomic Correlation Correction
Reprint from Proceedings of the Physical Society, A vol.69 1956 pp.49-56; communicated by H. C. Longuet-Higgins; manuscript and typescript drafts; figures and graphs Date Range 1956 Quantity 0.4 cm,Inventory Identifier 6-5 Box Number 6 Series 6 |
| 6-6 |
{12} On the Method of Atoms in Molecules III: The Ground State of Hydrogen Fluoride
Reprint from Proceedings of the Physical Society, A vol.69 1954 pp.301-309; communicated by H. C. Longuet-Higgins. Annotated draft typescript and manuscript notes, tables and calculations relating to ICC of HF Date Range 1955 - 1956 Quantity 1 cm,Inventory Identifier 6-6 Box Number 6 Series 6 |
| 6-7 |
{10-12} On the Method of Atoms in Molecules I-III
Integral calculations; notes; graphs Date Range 1954 - 1956 Quantity 1.2 cm,Inventory Identifier 6-7 Box Number 7 Series 6 |
| 6-8 |
{13} The Binding Energy of the Nitrogen Molecule
Reprint from Proceedings of the Physical Society, A vol.69 1956 pp.767-776. Secondary file title: Hybridization in N2, Modified Method of Atoms in Molecules, N2 ICC Theory; includes manuscript and typescript drafts; calculations and tables of values Date Range 1956 Quantity 1 cm,Inventory Identifier 6-8 Box Number 7 Series 6 |
| 6-9 |
{14} On the Binding Energy of the Helium Hydride Ion
Reprint from Proceedings of the Physical Society, A vol.69 1956 pp.868-870. Also included are manuscript and typescript drafts, notes, calculations and graphs, and a circular from the MIT Photographic Service. Date Range 1956 - 1957 Quantity 0.5 cm,Inventory Identifier 6-9 Box Number 7 Series 6 |
| 6-10 |
{15} The Electrostatic Calculation of Molecular Energies IV. Optimum Paired-electron Orbitals and the Electrostatic Method
Galley proofs for article published in Proceedings of the Royal Society, A vol.235 1956 pp.224-234; communicated by C. A. Coulson Date Range 1956 Quantity 0.2 cm,Inventory Identifier 6-10 Box Number 7 Series 6 |
| 6-11 |
{16} Role of Atomic Valence States in Molecular Energy Calculations
Reprint from The Journal of Chemical Physics vol.28 no.4 April 1958 pp.532-542. Also includes manuscript and typescript drafts Date Range 1957 - 1958 Quantity 0.6 cm,Inventory Identifier 6-11 Box Number 7 Series 6 |
| 6-12 |
{17} Electronic Structure of the First Row Hydrides BH, CH, OH, and FH, I. Ground States
Reprint from Proceedings of the Royal Society, A vol.248 1958 pp.119-135; communicated by C. A. Coulson. Also includes correspondence with M. Krauss, National Bureau of Standards, US Department of Commerce; annotated manuscript and typescript drafts; a manuscript titled: The Electronic Structure of BH. NOTE: Eight related files of integral calculations are located in Series 11 Date Range 1957 - 1958 Quantity 1.4 cm,Inventory Identifier 6-12 Box Number 7 Series 6 |
| 6-13 |
{18} Electronic Structure of the First Row Hydrides BH, CH, OH, and FH. II. Excited States
Manuscript draft Date Range 1959 Quantity 0.2 cm,Inventory Identifier 6-13 Box Number 7 Series 6 |
| 6-14 |
{17, 18} Orbital and ICC Program for FH (Preliminary material)
Notes, calculations, computer printout, computer input fortran coding forms titled: CSIRO order No. IF 50583 Orbital and ICC Calculation for HF; manuscript computer program with notes Date Range 1958 - 1959 Quantity 0.5 cm,Inventory Identifier 6-14 Box Number 7 Series 6 |
| 6-15 |
{17, 18} Orbital and ICC Calculations of FH using HF Orbitals - output of 1620 program and minimization
Computer output data; notes on quadratic minimization for two variables, of ICC energy, and of orbital energy; notes also on LiH Date Range 1958 - 1959 Quantity 0.5 cm,Inventory Identifier 6-15 Box Number 7 Series 6 |
| 6-16 |
{17, 18} Calculations of FH (Silliac)
Manuscript notes titled: Effect of orbital errors on molecular calculations; computer output data, December 1959; tables of values Date Range 1959 Quantity 0.3 cm,Inventory Identifier 6-16 Box Number 7 Series 6 |
| 6-17 |
{17, 18} Silliac
Early photocopies (poor condition) of information sheets on programs and routines from the University of Illinois Digital Computer 1953-1954; similar notes from the Adolph Basser Computing Laboratory 1958. Correspondence with the Adolph Basser Computing Laboratory, School of Physics, University of Sydney; J. M. Bennett - outwards letters only Date Range 1953 - 1959 Quantity 0.6 cm,Inventory Identifier 6-17 Box Number 7 Series 6 |
| 6-18 |
{17, 18} OH Hartree Fock Orbitals
Manuscript notes and calculations; some of the subtitles are: V.B.=A.C.F.; On the use of V.B. representation (everything real); the effects of orbital errors in ICC calculations; dipole moments including photograph and negatives of computer screen - Freeman 5 March 1957. Draft of a letter to M. Krauss Date Range 1957 - 1958 Quantity 2 cm,Inventory Identifier 6-18 Box Number 8 Series 6 |
| 6-19 |
{17, 18} The Effect of Orbital Errors in the ICC Theory
Correspondence with J.M. Parks, University of Illinois; B. J. Ransil, University of Chicago; M. Krauss, National Bureau of Standards, USA. Typescript draft of 'A study of the Intra-Atomic Correlation Correction' by B. J. Ransil and M. Krauss; notes and calculations Date Range 1959 Quantity 1 cm,Inventory Identifier 6-19 Box Number 8 Series 6 |
| 6-20 |
{17, 18} The Lithium Hydride Molecule
Typescript of article not published(?), title not given; computer data and notes; manuscript draft of an article titled 'The Lithium Hydride Molecule' (not published?) Date Range 1958 - 1959 Quantity 0.3 cm,Inventory Identifier 6-20 Box Number 8 Series 6 |
| 6-21 |
{19} Electronic Structure and Binding Energy of Carbon Monoxide
Reprint from Reviews of Modern Physics vol.32 no.2 April 1960 pp.400-411; manuscript draft and notes; typescript for a talk(?) titled: The electronic structure of carbon monoxide. Computer data from the Adolph Basser Computing Laboratory, University of Sydney; B. J. Ransil, University of Chicago; CSIRO computer(?), including Moser Integrals(?) Date Range 1959 - 1960 Quantity 2.5 cm,Inventory Identifier 6-21 Box Number 8 Series 6 |
| 6-22 |
{20, 21} Improved Molecular Orbitals and the Valence Bond Theory
Reprints from Journal of Chemical Physics vol.33 no.1 July 1960 pp.301-302 and vol.33 no.6 December 1960 pp.1872-1873; notes; reprint of article by R. K. Nesbet 'Molecular Model of the Heisenberg Exchange Interaction' Date Range 1960 - 1961 Quantity 0.2 cm,Inventory Identifier 6-22 Box Number 8 Series 6 |
| 6-23 |
{22} Electronic Structure of the First Row Hydrides. III. Predissociation by Rotation in the A1∏ State and the Dissociation Energy of BH
Reprint from Proceedings of the Royal Society, A vol.261 1961 pp.237-245; communicated by C. A. Coulson; typescript draft of an article titled 'Maxima on potential energy curves for diatomic molecules - the A1∏ state of BH'; tables of data; correspondence with A. M. Karo, Lawrence Radiation Laboratory, University of California Date Range 1960 - 1961 Quantity 0.5 cm,Inventory Identifier 6-23 Box Number 8 Series 6 |
| 6-24 |
{23} Potential Curves for Doubly Positive Diatomic Ions
Joint author V. W. Maslen. Reprint from Journal of Chemical Physics vol.34 no.6 June 1961 pp.1919-1925; title of original file reads: Potential curves for some doubly charged positive ions - derived from iso-electron neutral molecules. (i) CO++, CO++* (ii) O2++ (iii) F2++ Cl2++ Br2++ I2++ (iv) NO++ (v) N2++; includes graphs and notes by ACH and V. W. Maslen Date Range 1960 - 1961 Quantity 0.5 cm,Inventory Identifier 6-24 Box Number 8 Series 6 |
| 6-25 |
{24} Identification of an Electronic Transition of N22+
Joint author P. K. Carroll. Reprint from Journal of Chemical Physics vol.35 no.6 December 1961 pp.2247-2248; typescript draft; correspondence with P. K. Carroll, University of Chicago Date Range 1961 Quantity 0.4 cm,Inventory Identifier 6-25 Box Number 8 Series 6 |
| 6-26 |
{?} Filament Arrays for Uniform Coating by Evaporation
Calculations, notes, manuscript draft of service work for the CSIRO Division of Chemical Physics Date Range 1960 Quantity 0.5 cm,Inventory Identifier 6-26 Box Number 8 Series 6 |
| 6-27 |
{?} 7090 Listing of Integrals for F+ and F2 - Hartree-Fock F Orbitals. Batches 8,9,10. F2 - Best Atom Orbitals Batch 1,2,3
Typescript instructions on the use of the 704 and 7090 Diatomic integral program; correspondence with A. C. Switendick, Department of Physics, MIT; computer programmes and data output. Second section of the file titled: 7090 Listing of Integrals for FH Using H.F. Fluorine Orbitals. Batches 4,5,6,7,11,12,13,14,15; computer programs and data output. See file 6/30 Date Range 1961 Quantity 1.5 cm,Inventory Identifier 6-27 Box Number 8 Series 6 |
| 6-28 |
{?} Z.D.O. [Zero Differential Overlap] McWeeny Density Matrix in SCF??O
Graphs, notes, calculations Date Range 1961 Quantity 0.4 cm,Inventory Identifier 6-28 Box Number 9 Series 6 |
| 6-29 |
{25} Equivalence of Rydberg-Klein-Rees and Simplified Dunham Potentials
Reprint from Journal of Chemical Physics vol.36 no.4 February 1962 pp.1117-1118; manuscript and typescript drafts; notes and calculations Date Range 1962 Quantity 0.6 cm,Inventory Identifier 6-29 Box Number 9 Series 6 |
| 6-30 |
{?} Weapons Research Establishment
Correspondence and other documents concerning the use of the WRE 7090 Data Processing System at the Department of Supply, Weapons Research Establishment, Salisbury, South Australia. Includes correspondence with J. D. Heinrich, D. L. Overheu, W. C. J. White of the Mathematical Services Group, WRE; computer data output. See file 6/27 Date Range 1961 - 1962 Quantity 0.7 cm,Inventory Identifier 6-30 Box Number 9 Series 6 |
| 6-31 |
{26} Potential Energy Curves for Doubly Positive Diatomic Ions. Part II. Predicted States and Transitions of N22+, O 22+, and NO22+
Reprint from Journal of Molecular Spectroscopy vol.9 1962 pp.18-29; typescript titled 'Doubly Ionized Molecules'; manuscript notes for a talk(?) written on Akasaka Prince Hotel, Tokyo notepaper dealing with the calculation of potential energy curves for dipositive diatomic ions Date Range 1962 Quantity 0.3 cm,Inventory Identifier 6-31 Box Number 9 Series 6 |
| 6-32 |
{27} Virial Theorem for Polyatomic Molecules
Reprint from The Journal of Chemical Physics vol.37 no.2 July 1962 pp.449-450 Date Range 1962 Quantity 0.1 cm,Inventory Identifier 6-32 Box Number 9 Series 6 |
| 6-33 |
{28} Comments on "Hellmann-Feynman Wave Functions"
Joint author C.A. Coulson. Reprint from The Journal of Chemical Physics vol.37 no.2 July 1962 pp.448-449 Date Range 1962 Quantity 0.1 cm,Inventory Identifier 6-33 Box Number 9 Series 6 |
| 6-34 |
{29} Elimination of Atomic Errors from Molecular Calculations
Reprint from Reviews of Modern Physics vol.35 no.3 July 1963 pp.448-456; typescript draft Date Range 1963 Quantity 0.1 cm,Inventory Identifier 6-34 Box Number 9 Series 6 |
| 6-35 |
Slater Representation Theory
Correspondence with G. F. Koster and J. C. Slater of the Solid State and Molecular Theory Group, MIT; notes and calculations; photocopy of a manuscript draft by ACH titled 'Critique of "The Slater Representation Theory" by E. R. Keown' Date Range 1964 Quantity 0.3 cm,Inventory Identifier 6-35 Box Number 9 Series 6 |
| 6-36 |
{?} Internal Rotation Barrier of Ethane
Notes on the 'E.S. [Electrostatic] model of ethane rotation barrier' Date Range 1964 Quantity 0.2 cm,Inventory Identifier 6-36 Box Number 9 Series 6 |
| 6-37 |
{30} The Molecular Orbital Interpretation of Bond-Length Changes following Excitation and Ionization of Diatomic Molecules
Reprint from Molecular Orbitals in Chemistry, Physics, and Biology edited by P. -O. LÖwdin and B. Pullman, Academic Press, New York, 1964; correspondence between A. L. G. Rees and Academic Press; manuscript draft and figures Date Range 1964 Quantity 0.5 cm,Inventory Identifier 6-37 Box Number 9 Series 6 |
| 6-38 |
{31} Finite Rotation Groups and Crystal Classes in Four Dimensions. II. Revised Tables and Projection of Groups of Antisymmetry in Three Dimensions
Reprint from Quantum Theory of Atoms, Molecules, Solid State edited by P. -O. LÖwdin, Academic Press, New York, 1966, pp.571-586; manuscript draft. Correspondence with F. R. Burden, Monash University; J. Neubüser, Christian-Albrechts-Universität, Kiel, West Germany; H. Wondratschek, Mineralogisches Institut der Technischen Hochschule, Fernruf, West Germany. Photocopy of reprint and typescript translation of 'Translation groups in n dimensions' by C. Herman from Struktur und Materie der FestkÖrper 1952. Date Range 1964 - 1966 Quantity 0.7 cm,Inventory Identifier 6-38 Box Number 9 Series 6 |
| 6-39 |
{32} Ray Representations of Point Groups and the Irreducible Representations of Space Groups and Double Space Groups
Reprint from Philosophical Transactions of the Royal Society of London, A vol.260 June 1966 pp.1-36; communicated by C. A. Coulson; manuscript draft; correspondence with P. -O. LÖwdin and Y. Öhrn regarding publication of 'Comments made at the International Symposium on Atomic, Molecular and Solid State Physics in Honour of J. C. Slater' 1967, and with F. Herman; typescript translation of 'Irreducible representations of space groups' by O. V. Kovalev 1961; notes for a talk? Date Range 1961 - 1968 Quantity 1.2 cm,Inventory Identifier 6-39 Box Number 9 Series 6 |
| 6-40 |
{?} Finite Atoms for Molecular Calculations
Manuscript draft of a paper 'Proposed new basis functions for atomic and molecular calculations'; notes and calculations Date Range 1967 Quantity 0.4 cm,Inventory Identifier 6-40 Box Number 9 Series 6 |
| 6-41 |
{34, 37} Integrated and Integral Hellmann-Feynman Formulas
Reprint from The Journal of Chemical Physics vol.47 no.4 August 1967 pp.1275-1286, joint authors S. T. Epstein, R. E. Wyatt and R. G. Parr; notes and calculations; reprint of 'Integrated and Integral Hellmann-Feynman Formulae. II. Construction of super-floating functions', International Journal of Quantum Chemistry vol.1 S 1967 pp.677-685; notes and calculations; typescript copy of 'A numerical test of the integral Hellmann-Feynman Theorem' by W. H. Fink and L. C. Allen, Princeton University Date Range 1967 Quantity 0.4 cm,Inventory Identifier 6-41 Box Number 9 Series 6 |
| 6-42 |
{35} Anharmonic Vibration in Fluorite Structures
Reprint from Proceedings of the Royal Society, A vol.298 1967 pp.289-306; communicated by W. Cochran; joint authors B. Dawson and V. W. Maslen Date Range 1967 Quantity 0.1 cm,Inventory Identifier 6-42 Box Number 9 Series 6 |
| 6-43 |
{36} Crystal Classes of Four-dimensional Space R4
Reprint from Acta Crystallographica vol.22 part 4 April 1967; joint authors J. Neubüser and H. Wondratschek; typescript drafts; correspondence with the joint authors and A. J. C. Wilson Date Range 1967 Quantity 0.1 cm,Inventory Identifier 6-43 Box Number 9 Series 6 |
| 6-44 |
{?} Hydrogen-Palladium Interactions
Note from Bob Croft, Division of Applied Chemistry; photocopy of 'The form of interaction between Palladium and Hydrogen' by R. Burch and F. A. Lewis; notes Date Range 1971 Quantity 0.2 cm,Inventory Identifier 6-44 Box Number 9 Series 6 |
| 6-45 |
{?} Theory of the Energy Levels of Non-rigid Molecules by B.J. Dalton
Typescripts of the paper; referees' comments; correspondence with A. D. Buckingham, editor of Molecular Physics; B. J. Dalton Date Range 1969 - 1970 Quantity 0.8 cm,Inventory Identifier 6-45 Box Number 9 Series 6 |
| 6-46 |
{39} Auger Spectra of CO and Long-lived States of CO++
Reprint from The Journal of Chemical Physics vol.54 no.8 April 1971 pp.3656-3657; manuscript and typescript drafts. Correspondence with J. W. Stout; R. K. Nesbet; A. L. G. Rees; referee's report; notes and calculations Date Range 1970 - 1971 Quantity 0.5 cm,Inventory Identifier 6-46 Box Number 9 Series 6 |
| 6-47 |
{?} Charge Density of Bifluorite
Notes; computer drawn graphs; computer programs - 3200 Fortran (2.1) Program RHOCALC Date Range March 1971 Quantity 0.6 cm,Inventory Identifier 6-47 Box Number 9 Series 6 |
| 6-48 |
{40} Dipositive Diatomic Ions
Manuscript notes and graphs for talk; correspondence with J. D. Cotton, Honorary Secretary, University of Queensland Chemical Society. See Series 4/9 Date Range 1972 Quantity 0.5 cm,Inventory Identifier 6-48 Box Number 9 Series 6 |
| 6-49 |
{41} Thermochemistry in the Hartree-Fock Approximation
Reprint from Advances in Quantum Chemistry vol.7, Academic Press, New York and London, pp.315-334 Date Range 1973 Quantity 0.2 cm,Inventory Identifier 6-49 Box Number 9 Series 6 |
| 6-50 |
{42, 43} Absolute Configuration by X-Ray and Circular Dichroism Methods of Calycanthine
Reprint from Nature Physical Science vol.244 no.132 July 1973 pp.30-32 and vol.245 no.141 September 1973 p.32; photocopy of article by S. F. Mason Date Range 1973 Quantity 0.1 cm,Inventory Identifier 6-50 Box Number 9 Series 6 |
| 6-51 |
{?} Circular Dichroism in Diketopiperazines and Dilactones: Coupling between n→π* Transitions
Paper not published; joint author A. F. Beecham. Typescript drafts; referees' reports; correspondence between A. F. Beecham and J. W. Stout, editor of The Journal of Chemical Physics Date Range 1973 - 1974 Quantity 0.5 cm,Inventory Identifier 6-51 Box Number 9 Series 6 |
| 6-52 |
{?} Coloured Symmetry
Notes and manuscript draft dealing with coloured symmetry and crystallograhic groups Date Range 1974 Quantity 0.5 cm,Inventory Identifier 6-52 Box Number 9 Series 6 |
| 6-53 |
{46} The Coupled-pair Approximation in a Basis of Independent-pair Natural Orbitals
Reprint from Chemical Physics Letters vol.41 no.3 August 1976 pp.444-449; joint authors P. R. Taylor, G. B. Bacskay and N. S. Hush; photocopy of a note from P. R. Taylor Date Range 1976 Quantity 0.1 cm,Inventory Identifier 6-53 Box Number 10 Series 6 |
| 6-54 |
{47} Group Integration, Projected Basis Functions, and Correlation Rules for Linear Molecules
Reprint from International Journal of Quantum Chemistry Symposium 11 1977 pp.223-228; typescript of abstract Date Range 1977 Quantity 0.1 cm,Inventory Identifier 6-54 Box Number 10 Series 6 |
| 6-55 |
{48, 49, 52} Unlinked Cluster Effects in Molecular Structure
I. The HCN and HNC Molecules
II. Pair Correlations in the Molecules HCN and HNC
III. Potential Curve for the CN- Ion and the Adiabatic Electron Affinity of CN
Joint authors P. R. Taylor, G. B. Bacskay and N. S. Hush; reprints from The Journal of Chemical Physics vol.69 no.5 September 1978 pp.1971-1979, vol.69 no.10 November 1978 pp.4669-4677, vol.70 no.10 May 1979 pp.4481-4490; notes and calculations; transparencies for overhead projection; manuscript draft for a paper or talk 'Electron Correlation and Chemical Reaction' Date Range 1978 - 1979 Quantity 0.4 cm,Inventory Identifier 6-55 Box Number 10 Series 6 |
| 6-56 |
{50} Algebraic Approaches to N-beam Theory
Joint authors A. W. S. Johnson, A. F. Moodie, P. Rez and J. R. Sellar; reprint from Institute of Physics Conference Series No.41 1978 Chapter 1 (also known as the book Electron Diffraction 1927-1977 edited by P. J. Dobson, J. B. Pendry and C. J. Humphreys, The Institute of Physics, Bristol 1978 p.34); notes and top pages of reference articles.1978 (references 1957-1972). Date Range 1978 Quantity 0.2 cm,Inventory Identifier 6-56 Box Number 10 Series 6 |
| 6-57 |
{?} On the Role of the Representation Groups of the Point Groups in the Discussion of Space Group Representation by the Method of Ray (Projective, Loaded) Representations
Typescript draft of an unpublished paper initially in collaboration with L. L. Boyle and K. F. Green, University Chemical Laboratory, Canterbury, Kent, England; photocopied notes, calculations and letter to Boyle Date Range 1978 Quantity 0.3 cm,Inventory Identifier 6-57 Box Number 10 Series 6 |
| 6-58 |
{51} Hydrogen Bonding and the n → π* Blue Shift in ,α β-unstaurated Ketones.
Joint author A. F. Beecham; reprint from Australian Journal of Chemistry vol.32 1979 pp.1643-1648; typescript draft Date Range 1979 Quantity 0.1 cm,Inventory Identifier 6-58 Box Number 10 Series 6 |
| 6-59 |
{53} Hydrogen Bonding and the n → π* Blue Shift in α, β-unstaurated Ketones.
II. Franck-Condon Factors and Estimates of the Effects of Hydrogen Bonding on CO Bond Lengths
Joint authors A. F. Beecham and C. H. J. Johnson; reprint from Australian Journal of Chemistry vol.33 1980 pp.699-705 Date Range 1980 Quantity 0.1 cm,Inventory Identifier 6-59 Box Number 10 Series 6 |
| 6-60 |
{54} A Scheduling Problem with a Simple Graphical Solution
Joint author A. F. Beecham; reprint from Journal of the Australian Mathematical Society vol.21 Series B 1980 pp.486-495; related reprints on the topic including 'The Parr Index' by A. C. Cole and W. E. Ewers; manuscript draft and notes; typescript drafts; referees' comments. Correspondence with C. Rodger; C. A. Hurst, University of Adelaide Date Range 1979 - 1984 Quantity 0.7 cm,Inventory Identifier 6-60 Box Number 10 Series 6 |
| 6-61 |
{55} The Inversion of the Three-beam Intensities for Scalar Scattering by a General Centrosymmetric Crystal
Joint author A. F. Moodie; reprint from Acta Crystallographica vol.A36 1980 pp.737-738 Date Range 1980 Quantity 0.1 cm,Inventory Identifier 6-61 Box Number 10 Series 6 |
| 6-62 |
{56} Distinct Hyperdice
Reprint not in collection Date Range 1980Inventory Identifier 6-62 Box Number 10 Series 6 |
| 6-63 |
{57} Unlinked Cluster Effects in Molecular Electronic Structure
Photocopy manuscript draft; abstracts handbook for the Summer Seminar/Workshop in Molecular Physics and Quantum Chemistry 10-15 February 1980; correspondence with P. G. Burton, University of Wollongong Date Range 1980 Quantity 0.5 cm,Inventory Identifier 6-63 Box Number 10 Series 6 |
| 6-64 |
{58} The Role of Projection Operators in the Theory of N -beam Diffraction. Application to the Phase Problem for Centrosymmetric Crystals
Joint authors A. F. Moodie, A. W. S. Johnson; typescript draft for a poster presentation at the Molecular Physics and Quantum Chemistry Conference, Sydney; Conference programme and abstracts of submitted papers for the Australian Conference on Molecular Physics and Quantum Chemistry, 17-20 February 1980, at the Sydney Science Centre, Sydney; See also File 11/3 Oversize Materials for the poster Date Range February 1980 Quantity 0.3 cm,Inventory Identifier 6-64 Box Number 10 Series 6 |
| 6-65 |
{59} Problems in the Inversion of Three-beam Convergent Beam Diffraction Patterns
Joint author A. F. Moodie; typescript of abstract Date Range 1980 Quantity 0.1 cm,Inventory Identifier 6-65 Box Number 10 Series 6 |
| 6-66 |
{60} Generation of Symmetry-Adapted Wave-Functions for O2 using Group Theoretical Projection Operators
Joint authors R. D. Harcourt and P. R. Taylor; reprint from Israel Journal of Chemistry vol.19 1980 pp.215-219; photocopy and original manuscript drafts and notes. Correspondence W. T. Lippincott, Journal of Chemical Education; A. L. G. Rees; including a referee's report Date Range 1977 - 1980 Quantity 0.4 cm,Inventory Identifier 6-66 Box Number 10 Series 6 |
| 6-67 |
{61} Analysis of the Covalent Bond: One-centre Floating Functions for the Hydrogen Molecule Ion
Reprint from International Journal of Quantum Chemistry vol.22 1982 pp.241-251; typescript draft. Correspondence with L.T. Chadderton; K. Ruedenberg, Iowa State University; P.-O. LÖwdin; E. Gilbert, John Wiley & Sons, Inc. Publishers; J.-L. Calais, Quantum Chemistry Group, Uppsala; includes referee's comments and reply. See also File 11/4 Oversize Materials for the large format diagrams and figures associated with this paper. Date Range 1981 - 1982 Quantity 0.7 cm,Inventory Identifier 6-67 Box Number 10 Series 6 |
| 6-68 |
{-} Motion of a Sphere on a Tilted Turntable
Photocopy of a paper by R. H. Romer with notes by ACH Date Range 1981 Quantity 0.1 cm,Inventory Identifier 6-68 Box Number 10 Series 6 |
| 6-69 |
{-} Polynomial Computer Programs
Computer printouts with annotations of polynomial programs written in Fortran for an IBM personal computer Date Range 1981 - 1985 Quantity 2 cm,Inventory Identifier 6-69 Box Number 10 Series 6 |
| 6-70 |
{-} Notes on Work by K. Ruedenberg, M. W. Schmidt et al.
Copies of papers on intra-atomic correlation corrections, molecular electronic wavefunctions and the Fors model with notes by ACH Date Range 1982 Quantity 0.7 cm,Inventory Identifier 6-70 Box Number 10 Series 6 |
| 6-71 |
{62} Complete Sets of Orthogonal Character Projectors for Simply Subducible Groups
Reprint from Chemical Physics Letters vol.91 no.3 September 1982 pp.163-168; manuscript draft and notes. Correspondence with L. T. Chadderton; North Holland Publishing Co.; A. D. Buckingham, University Chemical Laboratory, Cambridge; includes referees' reports Date Range 1982 Quantity 0.5 cm,Inventory Identifier 6-71 Box Number 10 Series 6 |
| 6-72 |
{63} Simple Subducible Groups II. Ray-Groups and Projectors for Double and Space Groups
Photocopy manuscript draft of article published in Chemical Physics Letters; manuscript notes and calculations; correspondence with A. D. Buckingham; L. M. Clarebrough Date Range 1983 Quantity 0.7 cm,Inventory Identifier 6-72 Box Number 10 Series 6 |
| 6-73 |
{64} Simply Subducible Groups and Ray Groups. Explicit Matrix Representations and the Group Algebra
Reprint from Chemical Physics Letters vol.107 no.2 May 1984 pp.155-161; manuscript notes and calculations Date Range 1984 Quantity 0.4 cm,Inventory Identifier 6-73 Box Number 10 Series 6 |
| 6-74 |
{65} Some Helical Structures Generated by Reflexions
Reprint from Australian Journal of Physics vol.38 1985 pp.299-310; notes and calculations; correspondence with J. B. Willis Date Range 1984 - 1985 Quantity 0.5 cm,Inventory Identifier 6-74 Box Number 11 Series 6 |
| 6-75 |
{66} Pseudo-crystal Classes: Counter Examples to Lomont's Conjecture
Photocopy typescript draft; reprint request from M. Aroyo; notes and calculations Date Range 1985 - 1986 Quantity 0.7 cm,Inventory Identifier 6-75 Box Number 11 Series 6 |
| 6-76 |
{67} Explicit Galois Resolvents for Sextic Equations
Joint author A. K. Head; reprint from International Journal of Quantum Chemistry vol.31 1987 pp.345-359; telegram from John Wiley & Sons, Inc.; background articles by A. K. Head and W. E. H. Berwick; notes and calculations; computer output and computer programs Date Range 1986 - 1987 Quantity 1 cm,Inventory Identifier 6-76 Box Number 11 Series 6 |
| 6-77 |
{68} The Computation of Floating Functions and Their Use in Force Constant Calculations
Reprint from Journal of Computational Chemistry vol.9 no.1 1988 pp.75-79; typescript manuscripts; manuscript notes and calculations; reprint requests. Correspondence with N. L. Allinger; N. S. Ham; includes a referee's report Date Range 1987 - 1988 Quantity 1 cm,Inventory Identifier 6-77 Box Number 11 Series 6 |
| 6-78 |
{-} Gödel's Theorem
Manuscript notes and a photocopy of 'Solvable and unsolvable problems' by A. M. Turing from Science News 31, n.d. Quantity 0.3 cm,Inventory Identifier 6-78 Box Number 11 Series 6 |
| 6-79 |
{-} Proof of a Theorem
Manuscript notes and calculations; outcome of attending a Monash University Mathematics Lecture, n.d. Quantity 0.3 cm,Inventory Identifier 6-79 Box Number 11 Series 6 |
| 6-80 |
{-} Documents printed from the personal computer in ACH work area
Typescripts of referees' reports, internal CSIRO reports, abstracts for papers, tables, references, correspondence with R. J. Leyden, Australian Journal of Chemistry Date Range 1986 - 1988 Quantity 0.2 cm,Inventory Identifier 6-80 Box Number 11 Series 6 |
| 6-81 |
{-} 'The Calculation of Molecular Wave Functions' by J. K Perring
Bound typescript copy of a Fellowship dissertation by J. K. Perring, 6 December 1949 written while at Cambridge Date Range 1949 Quantity 1.5 cm,Inventory Identifier 6-81 Box Number 11 Series 6 |
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Published by the Australian Science and Technology Heritage Centre on AustehcWeb, May 2004
With support from CSIRO Devision of Materials Science and Technology and University of Melbourne Listed by Gavan McCarthy HTML edition Ailie Smith Updated 8 November 2007 http://www.austehc.unimelb.edu.au/guides/hurl/HURLS006.htm The template for this finding aid is part of the Heritage Documentation Management System |
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