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Effect of the intramolecular hydrogen bond on the electronic structure of organic molecules with a planar quasicycle

Journal of structural chemistry, 2007-05, Vol.48 (3), p.427-432

2007

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Analysis of the Interaction Between the C20 Cage and cis-Ptcl2(NH3)2: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies

Journal of structural chemistry, 2018-09, Vol.59 (5), p.1044-1051

2018

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Internal Rotation and Equilibrium Structure of the Bromonitromethane Molecule According to Gas Electron Diffraction Data and Quantum Chemical Calculations

Journal of structural chemistry, 2018-05, Vol.59 (3), p.512-519

2018

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Inversion of pyramidal and tetrahedral molecules AX3 and AX4

Journal of structural chemistry, 1985-05, Vol.26 (3), p.451-475

1985

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Structure of the 1,1,1-trifluoro-3-chloropropane molecule according to data from gas electron diffraction

Journal of structural chemistry, 1987-03, Vol.28 (2), p.314-315

1987

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Variant of the ?Spectroscopic? parametrization of the CNDO method including transition metals

Journal of structural chemistry, 1987-01, Vol.27 (4), p.656-657

1987

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Ionization potentials and intramolecular charge transfer. Photoelectron spectra of chloromethyl and methyl alkyl ethers

Journal of structural chemistry, 1986-03, Vol.27 (2), p.230-235

1986

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Influence of the electron-donor effect of lone pairs of substituents on the nature of distribution of electron density in saturated molecules

Journal of structural chemistry, 1988-01, Vol.29 (1), p.17-22

1988

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Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene

Journal of structural chemistry, 1988-09, Vol.28 (5), p.696-703

1988

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Pseudocontinual model of point dipoles for taking into account solvation in quantum-chemical calculations

Journal of structural chemistry, 1987-03, Vol.28 (2), p.169-174

Burshtein, K. Ya

1987

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Use of the forced populating of d orbitals to eliminate oscillations during the determination of a self-consistent charge approximation

Journal of structural chemistry, 1987-01, Vol.27 (4), p.654-656

Khleskov, V. I.

1987

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Ultraviolet absorption spectra and electronic structure or trialkylsilylalkanethiols

Journal of structural chemistry, 1986-03, Vol.27 (2), p.225-230

1986

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Effect of the electronic structure of quinoline and its derivatives on the capacity for intermolecular interactions

Journal of structural chemistry, 1985-11, Vol.25 (6), p.857-862

1985

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Ultraviolet absorption spectra and electronic structure of dialkyl sulfides

Journal of structural chemistry, 1985-11, Vol.26 (6), p.902-908

1985

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Conformational analysis of ethyl azidoformate

Journal of structural chemistry, 1987-01, Vol.27 (4), p.532-539

1987

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Photoelectron spectra of saturated nitrogen-containing organic compounds

Journal of structural chemistry, 1987-01, Vol.27 (4), p.629-651

1987

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Theoretical study of influence of structure of carbamates on their thermal stability

Journal of structural chemistry, 1987-01, Vol.27 (4), p.539-544

1987

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Electronic structures of biologically active complexes of palladium with glycine

Journal of structural chemistry, 1987-01, Vol.27 (4), p.575-580

1987

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Numerical methods in solution theory

Journal of structural chemistry, 1987-11, Vol.28 (6), p.902-925

1987

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Direct quantum calculations of dipole moments of bonds in several molecules

Journal of structural chemistry, 1987-09, Vol.27 (5), p.795-797

1987

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Solid effect in double quadrupole resonance of nitrogen nuclei in amino groups

Journal of structural chemistry, 1986-01, Vol.27 (1), p.50-53

1986

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Algorithm for the determination of the equilibrium geometry of polyatomic molecules with automatic elimination of dependent coordinates

Journal of structural chemistry, 1986-01, Vol.26 (4), p.525-530

1986

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Restricted Hartree-Fock method for open shells; Self-consistency and Koopmans' theorem

Journal of structural chemistry, 1987-01, Vol.27 (4), p.510-516

1987

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Use of the translation transformation for slater functions in calculating multicenter integrals

Journal of structural chemistry, 1985-09, Vol.26 (5), p.809-812

1985

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Angular distribution of photoelectronic spectra of molecules in independent atom centers approximation

Journal of structural chemistry, 1987-03, Vol.28 (2), p.212-215

1987

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Effect of the intramolecular hydrogen bond on the electronic structure of organic molecules with a planar quasicycle

Analysis of the Interaction Between the C20 Cage and cis-Ptcl2(NH3)2: A DFT Investigation of the Solvent Effect, Structures, Properties, and Topologies

Internal Rotation and Equilibrium Structure of the Bromonitromethane Molecule According to Gas Electron Diffraction Data and Quantum Chemical Calculations

Inversion of pyramidal and tetrahedral molecules AX3 and AX4

Structure of the 1,1,1-trifluoro-3-chloropropane molecule according to data from gas electron diffraction

Variant of the ?Spectroscopic? parametrization of the CNDO method including transition metals

Ionization potentials and intramolecular charge transfer. Photoelectron spectra of chloromethyl and methyl alkyl ethers

Influence of the electron-donor effect of lone pairs of substituents on the nature of distribution of electron density in saturated molecules

Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene

Pseudocontinual model of point dipoles for taking into account solvation in quantum-chemical calculations

Use of the forced populating of d orbitals to eliminate oscillations during the determination of a self-consistent charge approximation

Ultraviolet absorption spectra and electronic structure or trialkylsilylalkanethiols

Effect of the electronic structure of quinoline and its derivatives on the capacity for intermolecular interactions

Ultraviolet absorption spectra and electronic structure of dialkyl sulfides

Conformational analysis of ethyl azidoformate

Photoelectron spectra of saturated nitrogen-containing organic compounds

Theoretical study of influence of structure of carbamates on their thermal stability

Electronic structures of biologically active complexes of palladium with glycine

Numerical methods in solution theory

Direct quantum calculations of dipole moments of bonds in several molecules

Solid effect in double quadrupole resonance of nitrogen nuclei in amino groups

Algorithm for the determination of the equilibrium geometry of polyatomic molecules with automatic elimination of dependent coordinates

Restricted Hartree-Fock method for open shells; Self-consistency and Koopmans' theorem

Use of the translation transformation for slater functions in calculating multicenter integrals

Angular distribution of photoelectronic spectra of molecules in independent atom centers approximation

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