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Article
Mechanism of the antitumor action of complex compounds of copper(II) with α-amino acids
It is shown theoretically and experimentally that the high superoxide dismutase-like activity of certain amino acids and their CuA2 and CuAB complexes does not correlate with antitumor activity. It was found that...
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Article
Activation of molecular hydrogen upon coordination: The vibronic approach
Within the framework of the one-parameter theory of vibronic activation (OVTA), vibronic constants have been determined for the ground, ionized, and excited electronic states of the hydrogen molecule. Charge t...
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Article
Electronic structure and coordination to DNA fragments for coordination compounds of Cu(II) with amino-acids of composition CuA′A″
The MWH method has been used in calculations on the electronic structures of compounds of copper(II) with α-amino-acids CuGLY(L-Ser), Cu(L-Alan)(L-Ser), CuGly2·H2O, as well as for the free amino-acids: alanine, g...
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Article
Vibronic activation of the CO molecule in transition-metal clusters in the one-parameter approximation
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Article
Electronic structure of intermediate complexes in the oxidation of phosphine by divalent copper halides
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Article
Calculation of the electronic structure of α-dioximes and their complexes with Ni, Pd, and Pt by a semiempirical MO LCAO method
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Article
Electronic structure, orbital symmetry, and the pseudo-Jahn — Teller effect in substitution reactions of Co(III), Rh(III), and Ir(III) ammine complexes
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Article
Electron structure, mutual influence of ligands, and spectra of ammonia complexes of rhodium(III) and cobalt(III)
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Article
Electronic structure and mutual effect of ligands in ethylenediamine complexes of cobalt with the trans configuration
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Article
Electronic structure, interligand effects, and spectra and photochemical behavior of ammine Ir(III) complexes. A comparison with Co(III) and Rh(III) complexes
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Article
Electronic structure and relative energies of some configurations of the molecules of lithium, thallium(I), and copper(II) nitrates
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Article
Quasirelativistic approximation in MO LCAO methods, allowing for the Breit terms
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Article
Electronic structure and redox properties of bipyridyl complexes of the transition metals
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Article
Effect of electron density redistribution during coordination on the acid-base properties of Co(III) dioximines
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Article
The electronic structure of diethyl dithiocarbamate and its complex with Ni(II); redistribution of charges on coordination and electronic spectra
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Article
Calculation of the electron structure and redox capacity of organometallic polychelates based on Β-diketones
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Article
A quantum-mechanical study of charge transfer in redox catalysis: Decomposition of hydrogen peroxide on copper ammoniates and iron porphyrin
Reactions of redox type at a catalyst are initiated by transfer of a charge δq, with accompanying change in the electronic structure of the reagent. It is shown that quantum chemistry provides estimates of δq ...