New optimized explicit modified RKN methods for the numerical solution of the Schrödinger equation.
- Published in:
- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 390, doi. 10.1007/s10910-012-0090-y
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- Article
Works matching IS 02599791 AND DT 2013 AND VI 51 AND IP 1
Results: 25
1
2
The number of Kekulé structures of polyominos on the torus.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 354, doi. 10.1007/s10910-012-0087-6
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- Article
3
Information-theoretic multiplicities of chemical bond in Shull's model of H.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 7, doi. 10.1007/s10910-012-0054-2
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- Article
4
Enumeration of substitutional isomers with restrictive mutual positions of ligands. II. Counts with restrictions on (sub)symmetry.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 239, doi. 10.1007/s10910-012-0076-9
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- Article
5
Collective Euclidian distances and quantum similarity.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 338, doi. 10.1007/s10910-012-0086-7
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- Article
6
A mixed-entropic uncertainty relation.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 1, doi. 10.1007/s10910-012-0068-9
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- Article
7
Trapping of a particle in a short-range harmonic potential well.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 265, doi. 10.1007/s10910-012-0077-8
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- Article
8
Equivalence of the empirical shifted Deng-Fan oscillator potential for diatomic molecules.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 227, doi. 10.1007/s10910-012-0075-x
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- Article
9
Collisional energy transfer with statistical energy exchange: an analytical solution in the statistical limit.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 108, doi. 10.1007/s10910-012-0066-y
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- Article
10
Atoms of multistationarity in chemical reaction networks.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 153, doi. 10.1007/s10910-012-0072-0
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- Article
11
Mathematical aspects of the LCAO MO first order density function (5): centroid shifting of MO shape functions basis set, properties and applications.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 289, doi. 10.1007/s10910-012-0083-x
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- Article
12
A contemporary linear representation theory for ordinary differential equations: probabilistic evolutions and related approximants for unidimensional autonomous systems.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 58, doi. 10.1007/s10910-012-0070-2
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- Article
13
Measuring localization-delocalization phenomena in a quantum corral.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 179, doi. 10.1007/s10910-012-0073-z
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- Article
14
A numerical characteristic method for probability generating functions on stochastic first-order reaction networks.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 316, doi. 10.1007/s10910-012-0085-8
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- Article
15
Entropic representation in the theory of molecular electronic structure.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 297, doi. 10.1007/s10910-012-0084-9
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- Article
16
New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. Part I: Construction and theoretical analysis.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 194, doi. 10.1007/s10910-012-0074-y
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- Article
17
Enumeration of substitutional isomers with restrictive mutual positions of ligands: I. Overall counts.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 21, doi. 10.1007/s10910-012-0056-0
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- Article
18
Temperature phase transition model for the DNA-CNTs-based nanotweezers.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 278, doi. 10.1007/s10910-012-0082-y
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- Article
19
Systematic procedure for reduction of kinetic mechanisms of complex chemical processes and its software implementation.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 73, doi. 10.1007/s10910-012-0065-z
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- Article
20
Topological model to quantify the global reactivity indexes as local in Diels-Alder reactions, using density function theory (DFT) and local quantum similarity (LQS).
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 125, doi. 10.1007/s10910-012-0069-8
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- Article
21
Use of Harriman's construction in determining molecular equilibrium states.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 369, doi. 10.1007/s10910-012-0088-5
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- Article
22
A contemporary linear representation theory for ordinary differential equations: multilinear algebra in folded arrays (folarrs) perspective and its use in multidimensional case.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 38, doi. 10.1007/s10910-012-0070-2
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- Article
23
Positive ions of SiH: Jahn-Teller-like distortions for $${{\rm SiH}_{4}^{+}}$$ and eventually molecular collapse on further ionisation.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 117, doi. 10.1007/s10910-012-0067-x
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- Article
24
EMP as a similarity measure: a geometric point of view.
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- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 382, doi. 10.1007/s10910-012-0089-4
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- Article
25
Substrate and enzyme concentration dependence of the Henri-Michaelis-Menten model probed by numerical simulation.
- Published in:
- Journal of Mathematical Chemistry, 2013, v. 51, n. 1, p. 144, doi. 10.1007/s10910-012-0071-1
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- Article