A high-level computational study using CCSD, CCSD(T), and G2(+) levels of theory has shown that unactivated vinyl substrates such as vinyl chloride would afford gas phase, single-step halide exchange by a pure in-plane sigma-approach of the nucleophile to the backside of the C--Cl sigma bond. Geometry optimization by CCSD/6-31+G* and CCSD(T)/6-31+G* confirms the earlier findings of Glukhovtsev,...

The influence of fluorine substitutions on the stability of benzene is examined by using the Hartree-Fock (HF) and MP2 models. It is conclusively demonstrated that homodesmotic reactions based on the open-chain zigzag polyenes are unsatisfactory. A comparison of the intramolecular interactions of educts and products shows that they are not well balanced. Hence, these reactions should be abandon...

Genetic programming has been successfully ap plied to evolve computer programs for solving a variety of interesting problems In the previous work we introduced the breeder genetic programming BGP method that has Occam s razor in its tness measure to evolve minimal size multilayer perceptrons In this paper we apply the method to synthesis of sigma pi neural networks Unlike percep tron architectu...

This paper investigates an online gradient method with innerpenalty for a novel feed forward network it is called pi-sigma network. This network utilizes product cells as the output units to indirectly incorporate the capabilities of higherorder networks while using a fewer number of weights and processing units. Penalty term methods have been widely used to improve the generalization performan...

Potential energy curves for the 28 lowest LambdaSigma states and 49 Omega states of RbCs are obtained from large-scale multireference configuration interaction calculations using both spin-averaged and two-component spin-orbit energy-consistent effective core potentials. Spectroscopic properties of all states are compared across available data in literature to date. Variations of the permanent ...

Using data samples collected with the BESIII detector operating at BEPCII storage ring, we measure cross sections of $e^{+}e^{-}\rightarrow\pi^{+}\pi^{-}D^{+}D^{-}$ process center-of-mass energies from 4.190 to 4.946 GeV a partial reconstruction method. Two resonance structures are seen and parameters determined fit section line shape. The first observe has mass (4373.1 $\pm$ 4.0 2.2) MeV/$c^2$...

In 1996 Goulden and Jackson introduced a family of coefficients $( c_{\pi, \sigma}^{\lambda} ) $ indexed by triples partitions which arise in the power sum expansion some Cauchy for Jack symmetric functions $(J^{(\alpha )}_\pi )$. The can be viewed as an interpolation between structure constants class algebra double coset algebra. suggested that are polynomials variable $\beta := \alpha-1$ with...

Let $\mathcal{M}$ be the bilinear Hardy-Littlewood maximal function and $\vec{b}=(b,b)$ a collection of locally integrable functions. In this paper, authors establish characterizations weighted {\rm BMO} space in terms several different commutators function, respectively; these include iterated commutator $\mathcal{M}_{\Pi \vec{b}}$, linear $\mathcal{M}_{\Sigma\vec{b}}$, $[\Pi \vec{b},\mathcal{...

We revisit, scrutinize, improve, confirm and complete our previous results [1-3] from the scalar di-gluonium sum rules within standard SVZ-expansion at N2LO without instantons beyond minimal duality ansatz : "one resonance + QCD continuum" parametrization of spectral function which is necessary for a better understanding complex spectra $I=0$ mesons. select different (un)subtracted (USR) moment...