Showing results (1-10 of 9) with videos related to
Sort By:
Pageof 1
Inorganic Chemistry|October 29, 2002
ZINDO calculations of the ground state and electronic transitions in the tetracyanonickelate Ion, Ni(CN)(4)(2-)Yves A Mantz, Ronald L MusselmanThe Journal of Physical Chemistry. B|February 24, 2006
Structural correlations and motifs in liquid water at selected temperatures: ab initio and empirical model predictionsYves A Mantz, Bin Chen, Glenn J MartynaThe Journal of Physical Chemistry. B|August 22, 2009
Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamideYves A Mantz, Davide Branduardi, Giovanni Bussi, et al.The Journal of Physical Chemistry. B|July 11, 2006
Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathwayYves A Mantz, Helene Gerard, Radu Iftimie, et al.Physical Review Letters|October 13, 2007
Solvent effects on charge spatial extent in DNA and implications for transferYves A Mantz, Francesco Luigi Gervasio, Teodoro Laino, et al.The Journal of Physical Chemistry. A|January 5, 2007
Charge localization in stacked radical cation DNA base pairs and the benzene dimer studied by self-interaction corrected density-functional theoryYves A Mantz, Francesco Luigi Gervasio, Teodoro Laino, et al.Journal of the American Chemical Society|April 1, 2004
Isomerization of a peptidic fragment studied theoretically in vacuum and in explicit water solvent at finite temperatureYves A Mantz, Helene Gerard, Radu Iftimie, et al.The Journal of Physical Chemistry Letters|July 15, 2026
Diffusion of NiH on Ni(111) and of Ni with Adsorbed H on Ni(111) in the Context of Ni Coarsening in Solid Oxide CellsYves A Mantz, Yinkai Lei, Wissam A Saidi, et al.Inorganic Chemistry|October 28, 2003
A solid-state spectral effect in eclipsed tetracyanonickelates: X-ray crystal structure, polarized specular reflectance spectroscopy, and ZINDO modeling of Sr[Ni(CN)4].5H2O, Rb2[Ni(CN)4].H2O, and Na2[Ni(CN)4].3H2OFrank R Fronczek, Terry J Delord, Steven F Watkins, et al.Pageof 1