Empirical model for the electron impact K-shell ionization cross section of atoms.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 897, doi. 10.1002/qua.21902
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2009 AND VI 109 AND IP 5
Results: 26
1
2
Effect of ring annelation on cations [M = H<sup>+</sup>, Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Be<sup>2+</sup>, Mg<sup>2+</sup>, and Ca<sup>2+</sup>]...benzene interaction: A density functional theory investigation.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 972, doi. 10.1002/qua.21903
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- Publication type:
- Article
3
Theoretical calculation of the electronic states with spin-orbit effects of the molecule NaRb.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 938, doi. 10.1002/qua.21904
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- Publication type:
- Article
4
Study of a confined hydrogen-like atom by the asymptotic iteration method.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 931, doi. 10.1002/qua.21905
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- Publication type:
- Article
5
A theoretical study of alkali metal atomic clusters: From Li<sub>n</sub> to Cs<sub>n</sub> (n = 2–8).
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1080, doi. 10.1002/qua.21906
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- Publication type:
- Article
6
Theoretical estimation of the electron affinity of enolate radicals.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1031, doi. 10.1002/qua.21909
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- Publication type:
- Article
7
The Curtius rearrangement of some organic azides: A DFT mechanistic study.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1058, doi. 10.1002/qua.21911
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- Publication type:
- Article
8
Theoretical study on HBC<sup>-</sup> and HCB<sup>-</sup> anions using multiconfiguration second-order perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1074, doi. 10.1002/qua.21912
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- Publication type:
- Article
9
The dual sense of the term “element,” attempts to derive the Madelung rule, and the optimal form of the periodic table, if any.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 959, doi. 10.1002/qua.21914
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- Publication type:
- Article
10
4d transition metal monoxides, monocarbides, monoborides, mononitrides, and monofluorides: A quantum chemical study.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1103, doi. 10.1002/qua.21916
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- Publication type:
- Article
11
Transition metal atoms on oxide supports density functional calculations.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1094, doi. 10.1002/qua.21806
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- Publication type:
- Article
12
Dynamics simulation on the flexibility and backbone motions of HP1 chromodomain bound to free and lysine 9-methylated histone H3 tails.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1135, doi. 10.1002/qua.21814
- By:
- Publication type:
- Article
13
Bonding and correlation analysis of various Si<sub>2</sub>CO isomers on the potential energy surface.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 907, doi. 10.1002/qua.21871
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- Publication type:
- Article
14
Chiral discrimination in hydrogen-bonded complexes of 2-methylol oxirane with hydrogen peroxide.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 920, doi. 10.1002/qua.21878
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- Publication type:
- Article
15
Dupré–Blundell model for the Landau diamagnetism applied to electrons gyrating in a crystalline solid.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1045, doi. 10.1002/qua.21899
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- Publication type:
- Article
16
Resonance energies and fusion rates of mass-nonsymmetric dtμ* molecule.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1070, doi. 10.1002/qua.21928
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- Publication type:
- Article
17
Comparative study on the nonadditivity of methyl group in lithium bonding and hydrogen bonding.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1127, doi. 10.1002/qua.21929
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- Publication type:
- Article
18
Erratum: An improved 6-31G* basis set for atoms Ga through Kr.
- Published in:
- 2009
- By:
- Publication type:
- Erratum
19
An analytic iterative approach to solving the time-independent Schrödinger equation.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 982, doi. 10.1002/qua.21917
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- Publication type:
- Article
20
A 2D graphical representation of DNA sequence based on dual nucleotides and its application.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 948, doi. 10.1002/qua.21919
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- Publication type:
- Article
21
Inequivalent electron densities derived from an approximate correlated ground-state wave function using the Hiller–Sucher–Feinberg identity: Comparisons with quantum Monte Carlo densities for He and Ne atoms.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1024, doi. 10.1002/qua.21920
- By:
- Publication type:
- Article
22
ONIOM study of the nonbonding interaction of the 2PU inhibitor with the CDK2 and CDK4 cyclin-dependant kinases.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1148, doi. 10.1002/qua.21922
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- Publication type:
- Article
23
Theoretical studies on QSAR and mechanism of 2-indolinone derivatives as tubulin inhibitors.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 999, doi. 10.1002/qua.21923
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- Publication type:
- Article
24
Gas-phase pyrolysis mechanisms of 3-anilino-1-propanol: Density functional theory study.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1036, doi. 10.1002/qua.21924
- By:
- Publication type:
- Article
25
Computational study of TNT synthesis in solvated nitration reaction systems.
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1009, doi. 10.1002/qua.21925
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- Publication type:
- Article
26
Theoretical studies on structures and electronic spectra of linear carbon chains C<sub>2n</sub>H<sup>+</sup> (n = 1-5).
- Published in:
- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 1116, doi. 10.1002/qua.21926
- By:
- Publication type:
- Article