2016
Manzetti S, Andersen O. (2016). Biochemical and physiological effects from exhaust emissions. A review of the relevant literature. Pathophysiology in press. http://dx.doi.org/10.1016/j.pathophys.2016.10.002
Yildirim A, Zhang J, Manzetti S and van der Spoel D. (2016): Binding of Pollutants to Biomolecules - A Simulation Study. Chem. Res. Toxicol., DOI: 10.1021/acs.chemrestox.6b00189. In press
Manzetti S, Andersen O. (2016). A molecular dynamics study of nanoparticle-formation from bioethanol-gasoline blend emissions. Fuel, 183: 55-63.
Manzetti S, Yakovlev A. (2016). Mapping the electronic changes in MgO-nanoclusters using quantum mechanics: Effects on HOMO-LUMO gaps and Coulomb properties by symmetry and surface alterations. Reduced Density Matrices in Quantum Physics and Role of Fermionic Exchange Symmetry. Conference Abstracts. University of Oxford (Oxford), United Kingdom, 12-15 April 2016. P. 4.
Manzetti S, Andersen O, Garcia C, Campos E. (2016). Molecular simulation of carbon nanotubes as sorptive materials: sorption effects towards retene, perylene and cholesterol to 100 degrees Celsius and above. Molecular Simulation, In press DOI: 10.1080/08927022.2016.1155212.
Manzetti S, Patek M. (2016). The accurate wavefunction of the active space of the rhenium dimer resolved using the ab initio Brueckner coupled-cluster method. Structural Chemistry, 27(4), 1071-1080
Figure: The molecular simulation state of a nanoparticle in atmospheric conditions at 300 Kelvin. Yellow di-particles: Oxygen and Nitrogen, Yellow tri-particles: CO2, blue frame-particles: ethanol, pink particles: Phenanthrene. Enlarge by clicking on the image.
