Yuri A Kruglyak


Ontology type: schema:Person     


Person Info

NAME

Yuri A

SURNAME

Kruglyak

Publications in SciGraph latest 50 shown

  • 1979-07 Nonempirical calculations for molecules in restricted bases of Gaussian functions in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1979-01 Conformational analysis of the dioxane molecule in an external electric field in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1978-05 Field fragmentation of the molecular ion of methylamine in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1978-01 Role of the σ core in the description of the properties of the ground state of the molecules of naphthalene and its fluoro derivatives in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1977-03 Structural and electronic properties of complexes between Li+, Na+, Be2+, and Mg2+ ions and HF, H2O, and NH3 molecules in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1977-01 Quantum-mechanical investigation of the properties of the molecules and ions of acetals in a strong electric field in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1976-05 Electronic absorption spectra and structure of fluorinated naphthalenes in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1975-07 Electronic absorption spectra of ion-radicals of butadiene and methyl substituted butadienes in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1975-03 Electronic absorption spectra and structure of the benzyl cation and anion in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-11 An orbital analysis of the ab initio electron and spin populations of the atoms in the benzyl radical in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-11 A theoretical study of primary hydrated Liü, Naü, and Kü ion complexes in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-09 Calculation of equilibrium configuration and force field of anthracene, pyrene, and coronene in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-09 Calculation of electronic structure and force field of alternant radicals with allowance for deformation of the σ-core in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-07 Calculation and interpretation of the vibration spectrum of the benzyl radical in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1974-05 Projection of the wave function of the unlimited Hartree-Fock method on the doublet state in the case of benzyl radical in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1973-11 Calculation of the electronic structure of complexes of 3d-transition metals with a nitrogen molecule in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1973-07 Optimal parameters in expansion of atomic hydrogen 1s wave function in gaussians in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1973-05 Electron structure of allene ab initio in the ground and excited states 1A1 and 1Ag in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1972-11 Electronic structure of the ground state of the benzyl radical in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1972-11 Matrix elements for operators for physical quantities in one-configuration functions of radicals in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1972-11 Excited states of the benzyl radical in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1972-09 Electron density matrix of bond orders and spin density in a multiconfiguration approximation in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1972-01 Electronic aspects of the photodimerization of pyrimidine bases and their derivatives in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1971-07 Calculation of the electron shells of the benzyl radical by the unrestricted hartree — Fock method on a Gaussian basis in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1971-07 Rotating barrier end groups in organic cumulenes in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1969-05 Electronic and geometric structure of the complex FeN2 in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1969-05 The electronic properties of polyenes and polyphenylacetylenes in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1969-03 Electronic properties of polyenes and polyphenylacetylenes in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1969-01 Study of the electronic structure of radicals by the CI method in THEORETICAL CHEMISTRY ACCOUNTS
  • 1969-01 Study of the electronic structure of radicals by the CI method in THEORETICAL CHEMISTRY ACCOUNTS
  • 1969-01 The electron density-bond order matrix and the spin density in the restricted CI method in THEORETICAL CHEMISTRY ACCOUNTS
  • 1969-01 Electronic aspects of photodimerization of the pyrimidine bases and of their derivatives in THEORETICAL CHEMISTRY ACCOUNTS
  • 1969-01 ESR spectra of anion radicals of phenazine derivatives in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1968-01 Torsion barriers of end-groups in cumulenes in THEORETICAL CHEMISTRY ACCOUNTS
  • 1968-01 Local electronic states in long polyene chains in THEORETICAL CHEMISTRY ACCOUNTS
  • 1968-01 Torsion barriers of end-groups in cumulenes in THEORETICAL CHEMISTRY ACCOUNTS
  • 1967-11 Polarography, EPR spectra, and the transmission of the influence of the substituents in the anion-radicals of para-nitrodiphenyls in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1967-11 Study of phenylacetylene polymers by a simple molecular orbital method in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1967-03 Basic results from calculations on ten-electron hydrides of C, N, O and F by the one-center expansion method in the single-configuation approximation in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1967-03 Polarography, EPR spectra, and the transmission of substituent influences in anion-radicals of p-nitrostilbenes in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1966-11 Program for the machine calculation of the σ-electron structure of molecules by the inductive parameter method in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1966-11 Programs for the calculation of three-center integrals of the electron attraction to a nucleus and of coulomb integrals over 1s orbitals in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1966-09 Intramolecular hydrogen bond and hyperfine splitting at the hydroxyl group in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1966-09 Intramolecular hydrogen bond and hyperfine splitting at the hydroxyl group in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1965-11 Methods for calculations in quantum chemistry V. “Huckel” program for machine calculation of the electronic structure of molecules in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1965-09 Methods of calculation used in quantum chemistry in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1965-05 Hückel: A program for computing the structures and properties of molecules in THEORETICAL AND EXPERIMENTAL CHEMISTRY
  • 1963-03 Calculations in quantum chemistry in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1963-01 Calculations in quantum chemistry in JOURNAL OF STRUCTURAL CHEMISTRY
  • 1962-09 Calculations in quantum chemistry in JOURNAL OF STRUCTURAL CHEMISTRY
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