List references from the University of Geneva Physical Chemistry reference database

Triggering the emission by the helical turn in thiadiazole-helicenes
T. Biet, K. Martin, J. Hankache, N. Hellou, A. Hauser, T. Bürgi, N. Vanthuyne, T. Aharon, M. Caricato, J. Crassous and N. Avarvari
Chemistry - A European Journal, 23 (2) (2017), p437-446
Keywords: chirality;circular dichroism;density functional calculations;helicenes;heterocycles
DOI:10.1002/chem.201604471 | unige:91450 | Abstract | Article HTML | Article PDF | Supporting Info

Al₃Li₄(BH₄)₁₃: A Complex Double-Cation Borohydride with a New Structure
I. Lindemann, R.D. Ferrer, L. Dunsch, Y. Filinchuk, R. Cerný, H. Hagemann, V. D'Anna, L.M. Lawson Daku, L. Schultz and O. Gutfleisch
Chemistry - A European Journal, 16 (2010), p8707-8712
Keywords: borohydrides; density functional calculations; hydrogen storage; metathesis; X-ray diffraction
DOI:10.1002/chem.201000831 | unige:14778 | Abstract | Article PDF

Ab initio static and molecular dynamics study of 4-styrylpyridine: Structure, energy and reactivity of the cis and trans isomers in the ground state
L.M. Lawson Daku, J. Linares and M.-L. Boillot
ChemPhysChem, 8 (9) (2007), p1402-1416
Keywords: ab initio calculations; density functional calculations; isomerization; molecular dynamics; transition states
DOI:10.1002/cphc.200700117 | unige:3195 | Abstract | Article HTML | Article PDF

Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex
L.M. Lawson Daku, A. Vargas, A. Hauser, A. Fouqueau and M.E. Casida
ChemPhysChem, 6 (7) (2005), p1393-1410
Keywords: density functional calculations; iron(II) complexes; time-resolved spectroscopy; high-spin->low-spin relaxation; spin crossover
DOI:10.1002/cphc.200400584 | unige:3621 | Abstract | Article HTML | Article PDF

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