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Damianos, Konstantina, Frank, Irmgard (2010) Car-Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate. Chemistry - A European Journal, 16 (27). 8041-8046 doi:10.1002/chem.200903076

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Reference TypeJournal (article/letter/editorial)
TitleCar-Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate
JournalChemistry - A European Journal
AuthorsDamianos, KonstantinaAuthor
Frank, IrmgardAuthor
Year2010 (July 19)Volume16
Issue27
PublisherWiley
DOIdoi:10.1002/chem.200903076Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID8236430Long-form Identifiermindat:1:5:8236430:6
GUID0
Full ReferenceDamianos, Konstantina, Frank, Irmgard (2010) Car-Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate. Chemistry - A European Journal, 16 (27). 8041-8046 doi:10.1002/chem.200903076
Plain TextDamianos, Konstantina, Frank, Irmgard (2010) Car-Parrinello Molecular Dynamics Study of the Thermal Decomposition of Sodium Fulminate. Chemistry - A European Journal, 16 (27). 8041-8046 doi:10.1002/chem.200903076
In(2010, July) Chemistry - A European Journal Vol. 16 (27) Wiley

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Nonnenberg, Christel, Frank, Irmgard (2008) Formation and decay of tetrazane derivatives—a Car–Parrinello molecular dynamics study. Physical Chemistry Chemical Physics, 10 (30). 4383pp. doi:10.1039/b715740a
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Friedrichs, Jana, Damianos, Konstantina, Frank, Irmgard (2008) Solving restricted open-shell equations in excited state molecular dynamics simulations. Chemical Physics, 347. 17-24 doi:10.1016/j.chemphys.2007.09.035
Semialjac, Marija, Schröder, Detlef, Schwarz, Helmut (2003) Car–Parrinello Molecular Dynamics Study of the Rearrangement of the Valeramide Radical Cation. Chemistry - A European Journal, 9 (18). 4396-4404 doi:10.1002/chem.200305127
Frank, Irmgard, Damianos, Konstantina (2008) Excited state dynamics in pyrrole–water clusters: First-principles simulation. Chemical Physics, 343. 347-352 doi:10.1016/j.chemphys.2007.08.029
Frank, Irmgard, Marx, Dominik, Parrinello, Michele (1999) First-Principles Molecular Dynamics Study of a Photochromic Molecular Crystal. The Journal of Physical Chemistry A, 103 (36). 7341-7344 doi:10.1021/jp991238g
Schulte, Marius, Frank, Irmgard (2011) Car–Parrinello Simulations of Prussian Blue: Structure, Dynamics, and Electronic Properties. The Journal of Physical Chemistry C, 115 (28). 13560-13565 doi:10.1021/jp1110696
Hofbauer, Florian, Frank, Irmgard (2010) Disulfide Bond Cleavage: A Redox Reaction Without Electron Transfer. Chemistry - A European Journal, 16 (17). 5097-5101 doi:10.1002/chem.200902831
Hofbauer, Florian, Frank, Irmgard (2012) Electrolysis of Water in the Diffusion Layer: First-Principles Molecular Dynamics Simulation. Chemistry - A European Journal, 18 (1). 277-282 doi:10.1002/chem.201002094
Frank, Irmgard, Damianos, Konstantina (2007) Restricted open-shell Kohn-Sham theory: Simulation of the pyrrole photodissociation. The Journal of Chemical Physics, 126 (12). 125105pp. doi:10.1063/1.2711188
Kirchner, Barbara, Reiher, Markus, Hille, Andreas, Hutter, J�rg, Hess, Bernd A. (2005) Car-Parrinello Molecular Dynamics Study of the Initial Dinitrogen Reduction Step in Sellmann-Type Nitrogenase Model Complexes. Chemistry - A European Journal, 11 (2). 574-583 doi:10.1002/chem.200400709
 
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