Browsing by Author Frankcombe, Terry
Showing results 19 to 36 of 36
N + CN → C + N 2 : A global potential energy surface, entrance channel recrossing and the applicability of capture theory
Author(s) | Frankcombe, Terry; McNeil, Steven; Nyman, Gunnar |
---|---|
Type | Journal article |
Date Published | 2011 |
Date Created | - |
Numerical solution methods for large, difficult kinetic master equations
Author(s) | Frankcombe, Terry; Smith, Sean C |
---|---|
Type | Journal article |
Date Published | 2009 |
Date Created | - |
OH-initiated oxidation of toluene. 1. Quantum chemistry investigation of the reaction path
Author(s) | Frankcombe, Terry; Smith, Sean C |
---|---|
Type | Journal article |
Date Published | 2007 |
Date Created | - |
OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerisation
Author(s) | Frankcombe, Terry; Smith, Sean C |
---|---|
Type | Journal article |
Date Published | 2007 |
Date Created | - |
OH-initiated oxidation of toluene. 3. Low energy routes to cresol and oxoheptadienal
Author(s) | Frankcombe, Terry |
---|---|
Type | Journal article |
Date Published | 2008 |
Date Created | - |
On the microscopic mechanism of carbon gasification: a theoretical study
Author(s) | Frankcombe, Terry; Smith, Sean C |
---|---|
Type | Journal article |
Date Published | 2004 |
Date Created | - |
Orbital-Free Density Functional Theory applied to NaAlH4
Author(s) | Frankcombe, Terry; Kroes, G; Choly, Nicholas I, et al |
---|---|
Type | Journal article |
Date Published | 2005 |
Date Created | - |
Potential energy surfaces for gas-surface reactions
Author(s) | Frankcombe, Terry; Collins, Michael |
---|---|
Type | Journal article |
Date Published | 2011 |
Date Created | - |
Proposed mechanisms for the catalytic activity of Ti in NaAlH 4
Author(s) | Frankcombe, Terry |
---|---|
Type | Journal article |
Date Published | 2012 |
Date Created | - |
Quasiharmonic approximation applied to LiBH4 and its decomposition products
Author(s) | Frankcombe, Terry; Kroes, G |
---|---|
Type | Journal article |
Date Published | 2006 |
Date Created | - |
Reaction dynamics of H 3 + + CO on an interpolated potential energy surface
Author(s) | Le, Hai Anh; Frankcombe, Terry; Collins, Michael |
---|---|
Type | Journal article |
Date Published | 2010 |
Date Created | - |
Selecting methods to solve multi-well master equations
Author(s) | Frankcombe, Terry; Smith, Sean C |
---|---|
Type | Journal article |
Date Published | 2003 |
Date Created | - |
Spin state splitting in carbon gasification models
Author(s) | Frankcombe, Terry |
---|---|
Type | Journal article |
Date Published | 2009 |
Date Created | - |
Statistical modelling of NH+/ND+ + H2/HD/D2 branching ratios
Author(s) | Frankcombe, Terry; Nyman, Gunnar |
---|---|
Type | Journal article |
Date Published | 2008 |
Date Created | - |
The Crystal Structure and Surface Energy of NaAlH4: A Comparison of DFT Methodologies
Author(s) | Frankcombe, Terry; Løvvik, Ole Martin |
---|---|
Type | Journal article |
Date Published | 2006 |
Date Created | - |
The H-D isotope effect in the stability of lithium alanate
Author(s) | Frankcombe, Terry; Kroes, G |
---|---|
Type | Journal article |
Date Published | 2006 |
Date Created | - |
The importance of vibrations in modelling complex metal hydrides
Author(s) | Frankcombe, Terry |
---|---|
Type | Journal article |
Date Published | 2007 |
Date Created | - |
Theoretical calculation of the energy of formation of LiBH4
Author(s) | Frankcombe, Terry; Kroes, G; Zuttel, Andreas |
---|---|
Type | Journal article |
Date Published | 2005 |
Date Created | - |
Updated: 12 April 2016/ Responsible Officer: University Librarian/ Page Contact: Library Systems & Web Coordinator