In this Communication we present the first theoretical/numerical treatment of nonadiabatic coupling terms (NACT) that originate from the Renner-Teller (RT) model, namely, those that follow from the splitting of an electronic level of a linear molecule when it becomes bent. These two newly formed states are characterized by different symmetries and are designated as A and B. Our main findings: (...

A simple model is presented for treating local imaginary frequencies that are important in the study of quantum effects in chemical reactions and various dynamical processes in molecular liquids. It significantly extends the range of accuracy of conventional local harmonic approximations (LHAs) used in the linearized semiclassical initial value representation/classical Wigner approximation for ...

We study the quasi-normal modes (QNM) of electromagnetic and gravitational perturbations of a Schwarzschild black hole in an asymptotically Anti-de Sitter (AdS) spacetime. Some of the electromagnetic modes do not oscillate, they only decay, since they have pure imaginary frequencies. The gravitational modes show peculiar features: the odd and even gravitational perturbations no longer have the ...

Treatment of the solvent adduct [MoO2Cl2(THF)2] with either 2 equivalents of N,N-dimethylbenzamide (DMB) or 1 equivalent of N,N'-diethyloxamide (DEO) gave the dioxomolybdenum(vi) complexes [MoO2Cl2(DMB)2] () and [MoO2Cl2(DEO)] (). The molecular structures of and were determined by single-crystal X-ray diffraction. Both complexes present a distorted octahedral geometry and adopt the cis-oxo, tra...

An efficient one-pot three-component procedure for the synthesis of new chiral spiro oxindolopyrrolidines/pyrrolizidines with highly regio- and diastereo-enantio, selective from 1,3-dipolar cycloaddition of azomethine ylides and chiral menthol-drived trans-cinnamic are described. The mechanism of the reaction is discussed on basis of the assignment of the absolute configuration of one of the cy...

The radio sky at lower frequencies, particularly below 20 MHz, is expected to be a combination of increasingly bright non-thermal emission and significant absorption from intervening thermal plasma. maps these frequencies cannot therefore obtained by simple extrapolation those higher frequencies. However, due severe constraints in ground-based observations, this spectral window still remains gr...

The title compound, C(16)H(34)N(2), is a chiral diamine with fixed R configuration at both stereogenic carbon centres of the cyclo-hexane backbone. Due to their different substituents, the two N atoms also become stereogenic. In the crystal structure, the configuration at one of the two nitro-gen centres is fixed, with the free electron pair pointing inward and the isobutyl group in a trans pos...

At passage of an ultra-high-energy particle through a bent crystal coherent bremsstrahlung is emitted but with characteristic frequencies distributed continuously, in relation with the crystal bend profile. For practical crystals, such radiation can be calculated by the stationary phase approximation technique. The radiation spectrum averaged over the impact parameters is evaluated. Its charact...