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Open Access research that uses mathematical models to solve ecological problems...

Solving a variety of ecological and biological problems is the focus of marine population modelling research conducted within the Department of Mathematics & Statistics. Here research deploys mathematical models to better understanding issues relating to fish stock management, ecosystem dynamics, ocean currents, and the effects of multispecies interactions within diverse marine ecosystems.

Research work in marine population modelling interfaces with a number of other key research specialisms, including mathematical biology, epidemiology and statistical informatics, where investigations are improving human understanding of the behaviour of infectious diseases, particularly in relation to animal infections; but also the modelling of complex biological processes such as antibiotic prodcution in actinobacteria.

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Number of items: 19.


Calvo-Castro, Jesus and Kennedy, Alan R. and McHugh, Callum J. (2019) Role of H‑optimization in the computed intermolecular interactions and charge-transfer integrals in diketopyrrolopyrroles. Journal of Physical Chemistry A, 123 (14). pp. 3185-3193. ISSN 1089-5639


Donaldson, P.M. and Greetham, G.M. and Shaw, D.J. and Parker, A.W. and Towrie, M. (2018) A 100 kHz pulse shaping 2D-IR spectrometer based on dual Yb:KGW amplifiers. Journal of Physical Chemistry A, 122 (3). 780–787. ISSN 1089-5639


Cameron, Robert P. and Yao, Alison and Barnett, Stephen M. (2014) Diffraction gratings for chiral molecules and their applications. Journal of Physical Chemistry A, 118 (19). pp. 3472-3478. ISSN 1520-5215


Montgomery, Neil A. and Denis, Jean-Christophe and Schumacher, Stefan and Ruseckas, Arvydas and Skabara, Peter and Kanibolotsky, Alexander and Paterson, Martin J. and Galbraith, Ian and Turnbull, Graham A. and Samuel, Ifor D. W. (2011) Optical excitations in star-shaped fluorene molecules. Journal of Physical Chemistry A, 115 (14). pp. 2913-2919. ISSN 1089-5639


Tuttle, Tell and Cerkovnik, Janez and Koller, Joze and Plesnicar, Bozo (2010) The search for protonated dihydrogen trioxide (HOOOH) : insights from theory and experiment. Journal of Physical Chemistry A, 114 (30). pp. 8003-8008. ISSN 1089-5639


Tuttle, T. (2009) Averaging semiempirical NMR chemical shifts: dynamic effects on the subpicosecond time scale. Journal of Physical Chemistry A, 113 (43). pp. 11723-11733. ISSN 1089-5639

Mills, A. and Hazafy, D. and Parkinson, J.A. and Tuttle, T. and Hutchings, M.G. (2009) Comment on "solvent effect on the electronic spectra of azine dyes under alkaline condition". Journal of Physical Chemistry A, 113 (34). pp. 9575-9576. ISSN 1089-5639


Kovacic, S. and Koller, J. and Cerkovnik, J. and Tuttle, T. and Plesnicar, B. (2008) Dihydrogen trioxide clusters, (HOOOH)n (n = 2−4) and the hydrogen-bonded complexes of HOOOH with acetone and dimethyl ether: implications for the decomposition of HOOOH. Journal of Physical Chemistry A, 112 (35). pp. 8129-8135. ISSN 1089-5639

Estrada, E. (2008) Quantum-chemical foundations of the topological sub-structural molecular design. Journal of Physical Chemistry A, 112 (23). pp. 5208-5217. ISSN 1089-5639


Knaup, J.M. and Hourahine, B. and Frauenheim, Th. (2007) Initial steps toward automating the fitting of DFTB E-rep(r). Journal of Physical Chemistry A, 111 (26). pp. 5637-5641. ISSN 1089-5639

Hourahine, B. and Sanna, S. and Aradi, B. and Kohler, C. and Niehaus, T. and Frauenheim, T. (2007) Self-Interaction and Strong Correlation in DFTB. Journal of Physical Chemistry A, 111 (26). pp. 5671-5677. ISSN 1089-5639

Aradi, B. and Hourahine, B. and Frauenheim, Th. (2007) DFTB+, a sparse matrix-based implementation of the DFTB method. Journal of Physical Chemistry A, 111 (26). pp. 5678-5684. ISSN 1089-5639

Sanna, Simone and Hourahine, B. and Gallauner, Th. and Frauenheim, Th. (2007) An efficient LDA+U based tight binding approach. Journal of Physical Chemistry A, 111 (26). pp. 5665-5670. ISSN 1089-5639

Kohler, Christof and Frauenheim, Thomas and Hourahine, Ben and Seifert, Gotthard and Sternberg, Michael (2007) Treatment of collinear and noncollinear electron spin within an approximate density functional based method. Journal of Physical Chemistry A, 111 (26). pp. 5622-5629. ISSN 1089-5639


Cheesman, A. and Smith, J.A. and Ashfold, M.N.R. and Langford, N. and Wright, S. and Duxbury, G. (2006) Application of a quantum cascade laser for time-resolved, in situ probing of CH4/H2 and C2H2/H2 gas mixtures during microwave plasma enhanced chemical vapor deposition of diamond. Journal of Physical Chemistry A, 110 (8). 2821 -2828. ISSN 1089-5639


Kosmidis, C. and Siozos, P. and Kaziannis, S. and Robson, L. and Ledingham, K.W.D. and McKenna, P. and Jaroszynski, D.A. (2005) Interaction mechanism of some alkyl iodides with femtosecond laser pulses. Journal of Physical Chemistry A, 109 (7). pp. 1279-1285. ISSN 1089-5639


Tasker, A.D. and Robson, L. and Ledingham, K.W.D. and McCanny, T. and Hankin, S.M. and McKenna, P. and Kosmidis, C. and Jaroszynski, D.A. (2002) A high mass resolution study of the interaction of aromatic and nitro-aromatic molecules with intense laser fields. Journal of Physical Chemistry A, 106 (16). pp. 4005-4013. ISSN 1089-5639


Marcinek, Andrzej and Zielonka, Jacek and Gebicki, Jerzy and Gordon, Charles M. and Dunkin, Ian R. (2001) Ionic liquids: novel media for characterisation of radical ions. Journal of Physical Chemistry A, 105 (40). pp. 9305-9309. ISSN 1089-5639


Rankin, S E and Sefcik, J and McCormick, A V (1999) Trimethylethoxysilane liquid-phase hydrolysis equilibrium and dimerization kinetics : catalyst, non-ideal mixing, and the condensation route. Journal of Physical Chemistry A, 103 (21). pp. 4233-4241. ISSN 1089-5639

This list was generated on Wed Jul 15 19:58:03 2020 BST.