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A high temperature and atmospheric pressure experimental and detailed chemical kinetic modelling study of 2-methyl furan oxidation

Somers, K.P.; Simmie, J.M.; Gillespie, F.; Burke, U.; Connolly, J.; Metcalfe, W.K.; Battin-Leclerc, F.; Dirrenberger, P.; Herbinet, O.; Glaude, P.-A.; Curran, Henry J. (Elsevier BV, 2013-01-01)

Genome-wide identification of novel micrornas and their target genes in the human parasite schistosoma mansoni

de Souza Gomes, Matheus; Muniyappa, Mohan Kumar; Carvalho, Sávio Gonçalves; Guerra-Sá, Renata; Spillane, Charles (Elsevier BV, 2011-08-01)

A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation

Somers, Kieran P.; Simmie, John M.; Gillespie, Fiona; Conroy, Christine; Black, Gráinne; Metcalfe, Wayne K.; Battin-Leclerc, Frédérique; Dirrenberger, Patricia; Herbinet, Olivier; Glaude, Pierre-Alexandre; Dagaut, Philippe; Togbé, Casimir; Yasunaga, Kenji; Fernandes, Ravi X.; Lee, Changyoul; Tripathi, Rupali; Curran, Henry J. (Elsevier BV, 2013-11-01)

Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase qm calculations

Fadda, Elisa; Woods, Robert J. (Canadian Science Publishing, 2013-09-01)

In this work we analyze the effect of the inclusion of an empirical dispersion term to standard DFT (DFT-D) in the prediction of the conformational energy of the alanine dipeptide (Ala2) and in assessing the relative ...