NDLI: Metal mobility in hydrothermal fluids: insights from ab initio molecular dynamics simulations.

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Metal mobility in hydrothermal fluids: insights from ab initio molecular dynamics simulations.

Content Provider	Semantic Scholar
Copyright Year	2013
Abstract	...........................................................................................v! Declaration .....................................................................................vii! Acknowledgements .........................................................................ix! List of publications .........................................................................xi! Chapter 1 ........................................................................................1! 1.1! Metal mobility in hydrothermal fluids ......................................................................3! 1.2! Experimental approaches ..........................................................................................6! 1.3! Advances of ab initio MD simulation in Geochemistry............................................9! 1.3.1! Quantum Mechanics (QM) calculations...........................................................10! 1.3.2! Classical Molecular Dynamics (MD) ...............................................................13! 1.3.3! Ab initio (First principles) MD and free energy calculation ............................15! 1.4! Molecular simulation and experimental data interpretation....................................18! 1.5! Research objectives .................................................................................................19! 1.6! Thesis organization .................................................................................................20! 1.7! References ...............................................................................................................21! Chapter 2 ......................................................................................33 2.0 Abstract ..................................................................................................................35 2.
File Format	PDF HTM / HTML
Alternate Webpage(s)	https://digital.library.adelaide.edu.au/dspace/bitstream/2440/83768/9/01front.pdf
Alternate Webpage(s)	https://digital.library.adelaide.edu.au/dspace/bitstream/2440/83768/8/02whole.pdf
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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