Browsing by Author Frankcombe, Terry
Showing results 13 to 32 of 36
Electron-pinned defect-dipoles for high-performance colossal permittivity materials
Author(s) | Hu, Wanbiao; Liu, Yun; Withers, Raymond, et al |
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Type | Journal article |
Date Published | 2013 |
Date Created | - |
Explicit calculation of the excited electronic states of the photosystem II reaction centre
Author(s) | Frankcombe, Terry |
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Type | Journal article |
Date Published | 2015 |
Date Created | - |
First crystal structure studies of CaAlH5
Author(s) | Weidenthaler, Claudia; Frankcombe, Terry; Felderhoff, Michael |
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Type | Journal article |
Date Published | 2006 |
Date Created | - |
Growing Fragmented Potentials for Gas-Surface Reactions: The Reaction between Hydrogen Atoms and Hydrogen-Terminated Silicon (111)
Author(s) | Frankcombe, Terry; Collins, Michael |
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Type | Journal article |
Date Published | 2012 |
Date Created | - |
InOOH-mediated intergrown heterojunctions for enhanced photocatalytic performance: assembly and interfacial charge carrier transferring
Author(s) | Nekouei, Farzin; Wen, Xiaoming; Zheng, Zhong, et al |
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Type | Journal article |
Date Published | 2022 |
Date Created | - |
Molecular Dynamics Simulations of Type-sII Hydrogen Clathrate Hydrate Close to Equilibrium Conditions
Author(s) | Frankcombe, Terry; Kroes, G |
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Type | Journal article |
Date Published | 2007 |
Date Created | - |
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 |
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Type | Journal article |
Date Published | 2011 |
Date Created | - |
Numerical solution methods for large, difficult kinetic master equations
Author(s) | Frankcombe, Terry; Smith, Sean C |
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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 |
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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 |
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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 |
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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 |
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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 |
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Type | Journal article |
Date Published | 2005 |
Date Created | - |
Potential energy surfaces for gas-surface reactions
Author(s) | Frankcombe, Terry; Collins, Michael |
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Type | Journal article |
Date Published | 2011 |
Date Created | - |
Proposed mechanisms for the catalytic activity of Ti in NaAlH 4
Author(s) | Frankcombe, Terry |
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Type | Journal article |
Date Published | 2012 |
Date Created | - |
Quasiharmonic approximation applied to LiBH4 and its decomposition products
Author(s) | Frankcombe, Terry; Kroes, G |
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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 |
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Type | Journal article |
Date Published | 2010 |
Date Created | - |
Selecting methods to solve multi-well master equations
Author(s) | Frankcombe, Terry; Smith, Sean C |
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Type | Journal article |
Date Published | 2003 |
Date Created | - |
Spin state splitting in carbon gasification models
Author(s) | Frankcombe, Terry |
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Type | Journal article |
Date Published | 2009 |
Date Created | - |
Statistical modelling of NH+/ND+ + H2/HD/D2 branching ratios
Author(s) | Frankcombe, Terry; Nyman, Gunnar |
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Type | Journal article |
Date Published | 2008 |
Date Created | - |
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