Theoretical calculations are performed for the X2E"2 and A 2E"3 states of the cycloheptatrienyl (tropyl) radical C7H7. An important goal of these calculations is to predict and to guide the analysis of the experimentally observed A 2E"3-X 2E"2 electronic spectrum. Vibrational frequencies of the tropyl radical at the conical intersection and stationary points of its X and A state Jahn-Teller dis...

A Gaussian t-design is defined as a finite set X in the Euclidean space Rn satisfying the condition: 1 V (Rn ) ∫ Rn f (x)e −α2||x ||2 dx = u∈X ω(u) f (u) for any polynomial f (x) in n variables of degree at most t , here α is a constant real number and ω is a positive weight function on X . It is easy to see that if X is a Gaussian 2e-design in Rn , then |X | ≥ (n+e e ) . We call X a tight Gaus...

in this paper, new (2e, 2'e)-3, 3'-(((3- hydroxypropane-1, 2-diyl) bis (oxy)) bis (2, 1-phenylene)) bis (1-phenylprop-2-en-1-one) (2a) was prepared in good yield by condensation reaction of acetophenone with bisaldehyde (1a) in ethanolic naoh solutions at room temperature. the (2e, 2'e)-3, 3'-(((3- hydroxypropane-1, 2-diyl) bis (oxy)) bis (2, 1-phenylene)) bis (1-phenylprop-2-en-1-one) (2a) was...

Cannaerts N, Dierckx de Casterlé B, Grypdonck M. Palliative care, care for life: a study of the specificity of residential palliative care. Qual Health Res 2004;14:816–35. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ....

A direct electrosynthesis of H2O2 from either O2 or H2O is an attractive strategy to replace the energy-intensive industrial anthraquinone process. Two-electron water oxidation reaction (2e-WOR) offers several advantages over oxygen reduction such as better mass transfer due absence gas-phase reactants. However, 2e-WOR a more challenging and less studied process with only handful metal oxides e...