Items where Subject is "34 CHEMICAL SCIENCES > 3407 Theoretical and computational chemistry > 340799 Theoretical and computational chemistry not elsewhere classified"
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- 3407 Theoretical and computational chemistry (10)
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Article
Weber, Daniel K., Sani, Marc-Antoine, Downton, Matthew T., Separovic, Frances, Keene, F. Richard, and Collins, J. Grant (2016) Membrane insertion of a dinuclear polypyridylruthenium(II) complex revealed by solid-state NMR and molecular dynamics simulation: implications for selective antibacterial activity. Journal of the American Chemical Society, 138 (46). pp. 15267-15277.
Adams, Nico, Cannon, Edward, and Murray-Rust, Peter (2009) ChemAxiom – An Ontological Framework for Chemistry in Science. Nature Precedings.
Meier, Michael A. R., Adams, Nico, and Schubert, Ulrich S. (2007) Statistical Approach To Understand MALDI-TOFMS Matrices: Discovery and Evaluation of New MALDI Matrices. Analytical Chemistry, 79. pp. 863-869.
Adams, N., Clauss, J., Meunier, M., and Schubert, U. S. (2006) Predicting thermochemical parameters of oxygen-containing heterocycles using simple QSPR models. Molecular Simulation, 32 (2). pp. 125-134.
Adams, Nico, and Schubert, Ulrich S. (2005) From Science to Innovation and From Data to Knowledge: eScience in the Dutch Polymer Institute's High-Throughput Experimentation Cluster. QSAR & Combinatorial Science, 24 (1). pp. 58-65.