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A gold cyano complex in nitromethane: MD simulation and X-ray diffraction

The solvation structure around the dicyanoaurate(I) anion (Au(CN)(2)(−)) in a dilute nitromethane (CH(3)NO(2)) solution is presented from X-ray diffraction measurements and molecular dynamics simulation (NVT ensemble, 460 nitromethane molecules at room temperature). The simulations are based on a ne...

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Detalles Bibliográficos
Autores principales:	Probst, Michael, Injan, Natcha, Megyes, Tünde, Bako, Imre, Balint, Szabolcz, Limtrakul, Jumras, Nazmutdinov, Renat, Mitev, Pavlin D., Hermansson, Kersti
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	North Holland 2012
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4267153/ https://www.ncbi.nlm.nih.gov/pubmed/25540462 http://dx.doi.org/10.1016/j.cplett.2012.04.044

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