Modeling Transition Metal Complexes in the Frameworkof the Spin-Crossover Phenomenon: a DFT Perspective
L.M. Lawson Daku Current Inorganic Chemistry, 3 (3) (2013), p242-259 Keywords: density functional theory, spin crossover, transition metal complexes
DOI:10.2174/1877944103666140110231029 | unige:73072
Spin-transition in nearly cubic site in [FeII(L)3][PF6]2
V. Mishra, R. Mukherjee, J. Linares, E. Codjovi, F. Varret and L.M. Lawson Daku Hyperfine Interactions, 188 (1-3) (2009), p71-78 Keywords: spin-transition ; 57Fe Mössbauer spectroscopy ; iron(II) complex ; ligand-field ; density functional theory
DOI:10.1007/s10751-008-9891-6 | unige:3560 | Abstract | Article PDF
What governs nitrogen configuration in substituted aminophosphines?
M.D. Wodrich, A. Vargas, , G. Merino and C. Corminboeuf Journal of Physical Organic Chemistry, 22 (2) (2008), p101-109 Keywords: stereoelectronic effects • electron delocalization • hyperconjugation • density functional theory
DOI:10.1002/poc.1431 | unige:3181 | Abstract | Article PDF