Found 41 Documents (Results 1–41)
Correlated and idempotent Dirac first-order density matrices with identical diagonal fermion density: a route to extract a one-body potential energy in TDDFT. (English) Zbl 1305.81141
Solution of the Schrödinger equation for two \(q\)-deformed potentials by the SWKB method. (English) Zbl 1201.81064
On electronegativity and chemical hardness relationships with aromaticity. (English) Zbl 1197.92065
MSC:
92E99
A new geometric-arithmetic index. (English) Zbl 1197.92056
MSC:
92E10
Benzenoid links. (English) Zbl 1197.92058
Combined theory of two- and four-component complete orthonormal sets of spinor wave functions and Slater type spinor orbitals in position, momentum and four-dimensional spaces. (English) Zbl 1227.81159
Computational modelling of amperometric biosensors in the case of substrate and product inhibition. (English) Zbl 1197.92022
On linear programming approach for the calculation of chemical equilibrium in complex thermodynamic systems. (English) Zbl 1200.92058
Expansion formulae for two-center charge densities of integer and noninteger \(n\) generalized exponential type orbitals applied to evaluation of multicenter multielectron integrals. (English) Zbl 1293.81045
Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin \(\alpha \)-radial function and Guseinov’s two-center charge density expansion formulae. (English) Zbl 1222.92069
J. Math. Chem. 47, No. 1, 345-353 (2010); erratum ibid. 47, No. 1, 354 (2010).
The comparison of two electrochemical process models involving chemical steps. (English) Zbl 1197.92064
Statistical-mechanical models with separable many-body interactions: Especially partition functions and thermodynamic consequences. (English) Zbl 1310.82004
Reviewer: Guy Jumarie (Montréal)
Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances. (English) Zbl 1197.92066
Definition of norm coherent generalized scalar products and quantum similarity. (English) Zbl 1200.81077
An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems. (English) Zbl 1200.81052
Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals. (English) Zbl 1222.92068
On reverse degree distance. (English) Zbl 1195.92084
Global behaviors of Monod type chemostat model with nutrient recycling and impulsive input. (English) Zbl 1197.92048
Optimal vulcanization of 2D-3D EPM/EPDM thick elements through peroxidic mixtures. (English) Zbl 1302.92148
MSC:
92E20
Vertex topological indices and tree expressions, generalizations of continued fractions. (English) Zbl 1223.92069
Mathematical modeling of the action of biosensor possessing variable parameters. (English) Zbl 1194.92049
Monte Carlo method for identification of outlier molecules in QSAR studies. (English) Zbl 1194.92088
Correlation diagrams of stereoisograms for characterizing stereoisomers of cyclobutane derivatives. (English) Zbl 1194.92084
Dynamic analysis of Michaelis-Menten chemostat-type competition models with time delay and pulse in a polluted environment. (English) Zbl 1194.92075
A mathematical characterization of the groups of substitution isomerism of the linear alkanes. (English) Zbl 1194.92086
No fluctuation approximation in any desired precision for univariate function matrix representations. (English) Zbl 1380.65095
Stability analysis for a single-species chemostat model with age structure and contribution of population to resource. (English) Zbl 1186.92048
Wiener, hyper-Wiener, detour and hyper-detour indices of bridge and chain graphs. (English) Zbl 1379.92077
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