ADVERTISEMENT RETURN TO ISSUEPREVErratumNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “The ANO-R Basis Set”J. Patrick Zobel*J. ZobelMore by J. Zobel, Per-Olof Widmark*Per-Olof WidmarkMore Widmark, and Valera Veryazov*Valera VeryazovMore VeryazovCite this: Chem. Theory Comput. 2021, 17, 5, 3233–3234Publication Date (Web):April 20, 2021Publication History Published online20 April 2...

to investigation non-bonded interaction of the [cuf4]2- complex inside nanoring, we focus on the single wall boron-nitride b18n18 nanoring. thus, the geometry of b18n18 nanoring has been optimized by b3lyp method with epr-ii basis set and geometry of the [cuf4]2- complex has been optimized at b3lyp method with def2-tzvp basis set and stuttgart rsc 1997 effective core potential. also electronic ...

We introduce the notion of idempotent radical class of module coalgebras over a bialgebra B. We prove that if R is an idempotent radical class of B-module coalgebras, then every B-module coalgebra contains a unique maximal B-submodule coalgebra in R. Moreover, a B-module coalgebra C is a member of R if, and only if, DB is in R for every simple subcoalgebra D of C. The collection of B-cocleft co...

In recent years several papers have appeared investigating the classical discrete logarithm problem for elliptic curves by means of the multivariate polynomial approach based on the celebrated summation polynomials, introduced by Semaev in 2004. However, with a notable exception by Petit et al. in 2016, all numerous papers have investigated only the composite-field case, leaving apart the labor...

intermolecular potential energy surface (ips) for protein — protein has been examined using rhf, dft-b3lypand mp2 levels of theory with 6-31g, 6-31g* basis sets. a number of basis sets were used in order to evaluatethe basis set effects, at all three levels of theory, basis sets has significant effects on the calculated potentialenergy curves (including position, depth and width of the potentia...

Let A ⊂ R be a set-germ at 0 ∈ R such that 0 ∈ A. We say that r ∈ S is a direction of A at 0 ∈ R if there is a sequence of points {xi} ⊂ A\{0} tending to 0 ∈ R such that xi ‖xi‖ → r as i → ∞. Let D(A) denote the set of all directions of A at 0 ∈ R. Let A, B ⊂ R be subanalytic set-germs at 0 ∈ R such that 0 ∈ A ∩ B. We study the problem of whether the dimension of the common direction set, dim(D...

Mixtures of Truncated Basis Functions (MoTBFs) have recently been proposed for modelling univariate and joint distributions in hybrid Bayesian networks. In this paper we analyse the problem of learning conditional MoTBF distributions from data. Our approach utilizes a new technique for learning joint MoTBF densities, then propose a method for using these to generate the conditional distribution...

For a non-commutative domain R and a multiplicatively closed set S the (left) Ore localization of R at S exists if and only if S satisfies the (left) Ore property. Since the concept has been introduced by Ore back in the 1930’s, Ore localizations have been widely used in theory and in applications. We investigate the arithmetics of the localized ring SR from both theoretical and practical point...