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...

We report on the optical properties of the hole-doped manganites Nd0.7Sr0.3MnO3, La0.7Ca0.3MnO3, and La0.7Sr0.3MnO3. The low-energy optical conductivity in the paramagnetic-insulating state of these materials is characterized by a broad maximum near 1 eV. This feature shifts to lower energy and grows in optical oscillator strength as the temperature is lowered into the ferromagnetic state. It r...

Cocrystals of one-dimensional cyanide-bridged Cu-Cr or Cu-Co bimetallic assemblies and mononuclear Cu complexes, [Cu(chxn)2]3[M(CN)6]2·4H2O (chxn = trans-cyclohexane-(1R,2R)-diamine; M = Cr for 1 and Co for 2), and two-dimensional cyanide-bridged Cu-Fe bimetallic assembly, [Cu(N-Eten)2]3[Fe(CN)6]2·4H2O (N-Eten = Nethylethylenediamine) (3), were prepared and characterized structurally. Crystal s...

In the well known Pöschl-Teller trigonometric potential well, a PT symmetric regularization x → x− i ε of the “impenetrable” end-point barriers is performed. This leads to the four different solvable generalizations of the model. As a byproduct, the scheme clarifies certain apparent paradoxes encountered in the classically forbidden coupling regime. PACS 03.65.Bz 03.65.Ca 03.65.Ge 02.60.Lj 11.3...

Moisture sorption studies have been carried out on 16 low moisture foodstuffs at 27°C and based on the major type of constituent, viz starch. fat, protein and high hygroscopicity. the isotherms have been divided into four groups. The moisture sorption behaviour over 0.060.92 water activity of the foods has indicated that the Brunauer-Emmett-Teller (BET) equation is applicable generally up to 0....