Alexander Voityuk
0000-0001-6620-4362
148 papers found
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Quantum chemical study of molecular ion complexes with hydrogen bonds (Review)
Molecular mechanics calculations of systems with strong hydrogen bonds
Structure and energy characteristic of [Mg(H3O)n]2+ and [Mg(H2O)n?1OH]+ complexes according to data from MNDO calculations
Extension of the MNDO formalism tod orbitals: Integral approximations and preliminary numerical results
Use of AM1 and PM3 methods for the investigation of energies and structures of compounds O=PXYZ, S=PXYZ
Stereoelectronic effect in reactions of phosphoester bond rupture
The influence of proton transfer on the metalsubstrate interaction in the active sites of zinc dependent enzymes
Molecular-orbital study of the relative stability of protonated nucleic acid base pairs
Quantum-chemical study of the mechanism of the hydrolysis of amides in the gas phase and in aqueous solution
Structural features of labile N-phosphorylammonium zwitterions and cations according to data from MNDO calculations and15N NMR spectroscopy
Quantum-chemical study of the effect of solvation on the strength of the phosphamide bond in N-phosphorylammonium cations and zwitterions
MNDO parameters for the Ca atom
The influence of proton transfer on the metal-substrate interaction in the active sites of zinc-dependent enzymes
Quantum-chemical investigation of the mechanism of nucleophilic addition in the HCNO molecule
Transition state stabilization in the active site of aminoacyl-tRNA synthetases
Catalytic mechanism of serine proteinases: A molecular orbital study
MNDO/M Calculations on hydrogen bonded systems
Influence of nucleic bases protonation upon the formation energy of the Watson-Crick pairs
Parameters of MNDO method for Zn atom
MNDO calculations of Mg compounds
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