Outputs (1494)

Chiral polymerisation and the RNA world (2005)
Journal Article
Wattis, J. A., & Coveney, P. V. (2005). Chiral polymerisation and the RNA world. International Journal of Astrobiology, 4(1), https://doi.org/10.1017/S1473550405002454

The purpose of this paper is to review two mathematical models: one for the formation of homochiral polymers from an originally chirally symmetric system; and the other, to show how, in an RNA-world scenario, RNA can simultaneously act both as inf... Read More about Chiral polymerisation and the RNA world.

DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings (2004)
Journal Article
Thirlway, J., Turner, I. J., Gibson, C. T., Gardiner, L., Brady, K., Allen, S., Roberts, C. J., & Soultanas, P. (2004). DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings. Nucleic Acids Research, 32(10),

Loading of the replicative ring helicase onto the origin of replication (oriC) is the final outcome of a well coordinated series of events that collectively constitute a primosomal cascade. Once the ring helicase is loaded, it recruits the primase an... Read More about DnaG interacts with a linker region that joins the N- and C-domains of DnaB and induces the formation of 3-fold symmetric rings.

Floating s- and p-type Gaussian Orbitals (1975)
Journal Article
Brailsford, D. F., Hall, G. G., Hemming, N., & Martin, D. (1975). Floating s- and p-type Gaussian Orbitals. Chemical Physics Letters, 35(4),

The advantages of including a small number of p-type gaussian functions in a floating spherical gaussian orbital calculation are pointed out and illustrated by calculations on molecules which previously have proved to be troublesome. These include mo... Read More about Floating s- and p-type Gaussian Orbitals.

Approximate ab initio calculations and the method of molecular fragments (1975)
Presentation / Conference Contribution
Brailsford, D. F. (1975). Approximate ab initio calculations and the method of molecular fragments. In V. R. Saunders, & J. Brown (Eds.),

A two stage approach to performing ab initio calculations on medium and large sized molecules is described. The first step is to perform SCF calculations on small molecules or molecular fragments using the OPIT Program. This employs a small basis set... Read More about Approximate ab initio calculations and the method of molecular fragments.

Fast assembly of fock matrices utilising symmetry properties of the basis set (1973)
Journal Article
Brailsford, D. F., & Hylton, J. (1973). Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18(4),

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals... Read More about Fast assembly of fock matrices utilising symmetry properties of the basis set.

3-body energy terms in a quartet state of H3 (1971)
Journal Article
Brailsford, D. F., & Ford, B. (1971). 3-body energy terms in a quartet state of H3. Chemical Physics Letters, 12(1),

Calculations of the 3-body energy term in a quartet (4A2 ) state of H3 (equilateral triangle nuclear-configurations) show a minimum in the 3-body energy for a side length of about 1.3 bohrs.

Symmetry properties of one- and two- electron molecular integrals (1971)
Journal Article
Brailsford, D. F., & Hall, G. G. (1971). Symmetry properties of one- and two- electron molecular integrals. International Journal of Quantum Chemistry, V,

The maximum numbers of distinct one- and two-electron integrals that arise in calculating the electronic energy of a molecule are discussed. It is shown that these may be calculated easily using the character table of the symmetry group of the set of... Read More about Symmetry properties of one- and two- electron molecular integrals.

Electric field strengths and ion trajectories in sharp-edge field ionization sources (1970)
Journal Article
Brailsford, D. F. (1970). Electric field strengths and ion trajectories in sharp-edge field ionization sources. Journal of Physics D: Applied Physics, 3,

On the presumption that a sharp edge may be represented by a hyperbola, a conformal transformation method is used to derive electric field equations for a sharp edge suspended above a flat plate. A further transformation is then introduced to give el... Read More about Electric field strengths and ion trajectories in sharp-edge field ionization sources.

Calculated ionization potentials of the linear alkanes (1970)
Journal Article
Brailsford, D. F., & Ford, B. (1970). Calculated ionization potentials of the linear alkanes. Molecular Physics, 18(5),

The equivalent orbital (EO) method is investigated and used for predicting outer and inner ionization potentials of the linear alkanes. The calculated ionization potentials are in good agreement with those observed in photoelectron spectra provided t... Read More about Calculated ionization potentials of the linear alkanes.

Calculation of electric field strengths at a sharp edge (1968)
Journal Article
Brailsford, D. F., & Robertson, A. J. B. (1968). Calculation of electric field strengths at a sharp edge

Sharp edges were first used for field ionisation mass spectrometry by Beckey. Although Cross and Robertson found that etched metal foils were more effective than razor blades for field ionisation, blades are very convenient for determination of field... Read More about Calculation of electric field strengths at a sharp edge.