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Nonmonotonic change in kinetic energy of electrons in forming a molecule
Nonmonotonic change in kinetic energy of electrons in forming a molecule
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Nonmonotonic change in kinetic energy of electrons in forming a molecule

Rebane, T. K.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-09, Vol.28 (5), p.640-645 [Periódico revisado por pares]

United States

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2
Nature of the interlayer interaction in hexagonal boron nitride
Nature of the interlayer interaction in hexagonal boron nitride
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Nature of the interlayer interaction in hexagonal boron nitride

Lopatin, V. V. ; Shcherbina, V. P.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-05, Vol.29 (3), p.466-469 [Periódico revisado por pares]

United States

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3
Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene
Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene
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Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene

Yumatov, V. D. ; Murakhtanov, V. V. ; Salakhutdinov, N. F. ; Okotrub, A. V. ; Mazalov, L. N. ; Logunova, L. G. ; Koptyug, V. A. ; Furin, G. G.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-09, Vol.28 (5), p.696-703 [Periódico revisado por pares]

United States

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4
Structure of radical anions of organosilicon compounds. INDO calculations of the radical anions of some organosilicon compounds
Structure of radical anions of organosilicon compounds. INDO calculations of the radical anions of some organosilicon compounds
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Structure of radical anions of organosilicon compounds. INDO calculations of the radical anions of some organosilicon compounds

Zhil'tsov, V. V. ; Kazakova, V. M. ; Makarov, I. G. ; Komalenkova, N. G.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-09, Vol.29 (2), p.186-191 [Periódico revisado por pares]

United States

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5
Program to implement MNDO/VS with analytic first-derivative computation and vibrational-spectrum calculation
Program to implement MNDO/VS with analytic first-derivative computation and vibrational-spectrum calculation
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Program to implement MNDO/VS with analytic first-derivative computation and vibrational-spectrum calculation

Pilipenko, A. T. ; Zaets, V. A. ; Khavryuchenko, V. D. ; Falendysh, E. R.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-09, Vol.28 (5), p.772-773 [Periódico revisado por pares]

United States

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6
Quantum-chemical calculations of bonding energy and the unit-cell parameters of crystalline magnesium difluoride
Quantum-chemical calculations of bonding energy and the unit-cell parameters of crystalline magnesium difluoride
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Quantum-chemical calculations of bonding energy and the unit-cell parameters of crystalline magnesium difluoride

Iomin, L. M. ; Buznik, V. M.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-05, Vol.29 (3), p.369-374 [Periódico revisado por pares]

United States

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7
Application of the MNDO method to investigation of properties and reactivity of molecules
Application of the MNDO method to investigation of properties and reactivity of molecules
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Application of the MNDO method to investigation of properties and reactivity of molecules

Voityuk, A. A.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-01, Vol.29 (1), p.120-146 [Periódico revisado por pares]

United States

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8
Computer program for optimization of a molecular basis in the calculation of excited state energies in the single-determinant approximation
Computer program for optimization of a molecular basis in the calculation of excited state energies in the single-determinant approximation
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Computer program for optimization of a molecular basis in the calculation of excited state energies in the single-determinant approximation

Glushkov, V. N. ; Tsaune, A. Ya ; Aprasyukhin, A. I. ; Karliichuk, V. I.

J. Struct. Chem. (Engl. Transl.); (United States), 1987-11, Vol.28 (6), p.932-933 [Periódico revisado por pares]

United States

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9
Solution of problem of determining spin properties of molecules in unitary formalism of quantum chemistry
Solution of problem of determining spin properties of molecules in unitary formalism of quantum chemistry
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Solution of problem of determining spin properties of molecules in unitary formalism of quantum chemistry

Klimko, G. T. ; Luzanov, A. V.

J. Struct. Chem. (Engl. Transl.); (United States), 1988-09, Vol.28 (5), p.633-639 [Periódico revisado por pares]

United States

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10
Symmetry of wave functions and degeneracy of one-electron levels in the spin-extended Hartree-Fock method in the example of 4n-cyclopolyenes
Symmetry of wave functions and degeneracy of one-electron levels in the spin-extended Hartree-Fock method in the example of 4n-cyclopolyenes
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Symmetry of wave functions and degeneracy of one-electron levels in the spin-extended Hartree-Fock method in the example of 4n-cyclopolyenes

Vaiman, G. E. ; Vysotskii, Yu. B. ; Smirnov, S. I.

J. Struct. Chem. (Engl. Transl.); (United States), 1987-11, Vol.28 (6), p.821-824 [Periódico revisado por pares]

United States

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