List references from the University of Geneva Physical Chemistry reference database

A Spectroscopic and Computational Study of a Photoinduced Cross-Dehydrogenative Coupling Reaction of a Stable Semiquinone Radical
J. Grilj, T.K. Todorova, C. Yi, S.-X. Liu, and S. Decurtins
Chemistry - A European Journal, 18 (43) , 2012, p13605-13608
Keywords: density functional calculations • photochemistry • radicals • transient absorption • transition states
DOI:10.1002/chem.201201463 | unige:23743 | 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
, 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

A theoretical study of the N₈ cubane to N₈ pentalene isomerization reaction
L. Gagliardi, S. Evangelisti, P.-O. Widmark and B.O. Roos
Theoretical Chemistry Accounts, 97 (1-4) , 1998, p136-142
Keywords: CASPT2 • N8 isomers • transition states • perturbation theory • high energy density material • multiconfigurational SCF theory
DOI:10.1007/s002140050246 | unige:2950 | Abstract | Article PDF

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