Volume 37; Issue 6

Journal of Structural Chemistry

Volume 37; Issue 6

1

Modified tight-binding equations for electron wave functions in crystals with point defects

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 461 KB

english, 1996

2

Adiabatic theory of the vibronic states of the topological isomers of polyatomic molecules. Calculation of optimal conditions for optical stimulation of isomeric rearrangements

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 706 KB

english, 1996

3

Effect of the components of the raman scattering tensor on band intensities

S. V. Trukhanov, L. A. Gribov, N. I. Prokofieva

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 527 KB

english, 1996

4

Quantitative prediction of absorption maxima in the electronic spectra of unsaturated compounds: Extrapolation from fragments to molecules in quantum chemical calculations

A. N. Pankratov, S. L. Shmakov, A. E. Shchavlev

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 425 KB

english, 1996

5

MNDO study of the electronic structure and potential energy surface of fluorinated singlet cyclopentadienyl and methylcyclopentadienyl cations

L. N. Shchegoleva, V. M. Karpov, V. E. Platonov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 414 KB

english, 1996

6

Parametric method in the theory of the vibronic spectra of complex molecules. Absorption spectrum of decapentaene

V. I. Baranov, V. O. Jenjer, D. Yu. Zelentsov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 593 KB

english, 1996

7

Parametric method for calculating the vibronic spectra of complex molecules. Diphenylpolyenes

V. I. Baranov, L. A. Gribov, V. O. Jenjer, D. Yu. Zelentsov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 579 KB

english, 1996

8

Gas electron diffraction study of the molecular structure of NbCl4

I. N. Belova, N. I. Giricheva, G. V. Girichev, S. A. Shlykov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 474 KB

english, 1996

9

Electronic structure of the 3,3′-bis-[η5-π-1,2-dicarba-3-nickel(III)-closododecaborate](1-) anion, {NiIII[η5-π-(3)-1,2-B,C2H11]2}, in salts with different cations, in salts with different cations

V. V. Volkov, E. A. Iliinchik, B. A. Kolesov, V. N. Ikorskii, O. V. Volkov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 693 KB

english, 1996

10

Quantum chemical and x-ray spectral studies of the structures of superstoichiometric fluorocarbons

L. G. Bulusheva, A. V. Okotrub, V. N. Mit'kin, V. V. Murakhtanov, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 444 KB

english, 1996

11

Geometry and orientation of molecules in a graphite fluoride matrix

N. V. Bausk, S. B. Érenburg, N. F. Yudanov, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 483 KB

english, 1996

12

Proton ordering in hexagonal ice

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 542 KB

english, 1996

13

Spontaneous raman spectroscopic study of the association of liquid γ-butyrolactone molecules

I. S. Perelygin, I. G. Itkulov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 278 KB

english, 1996

14

On the existence of phases with a structure of NaZr2(PO4)3in series of binary orthophosphates with different alkaline element to zirconium ratios

V. I. Petkov, A. I. Orlova, O. V. Egorkova

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 596 KB

english, 1996

15

Volatile mixed-ligand complexes of bis(diisobutyldithiocarbamato)zinc with 1,10-phenanthroline, 2,2′-bipyridyl, and 4,4′-bipyridyl. Crystal and molecular structure of the binuclear complex [Zn2(C10H8N2){(i-C4H9)2NCS2∼4]

S. M. Zemskova, L. A. Glinskaya, R. F. Klevtsova, V. B. Durasov, S. A. Gromilov, S. V. Larionov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 445 KB

english, 1996

16

Crystal structure of the 2-hydroxy-3,3,4-trimethyl-2-oxo-5-cyanimino-1, 4,2-diazaphospholidine diethylammonium salt

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 384 KB

english, 1996

17

Structural data representation and search for structural analogs in molecular spectroscopy databases

I. I. Strokov, K. S. Lebedev, B. G. Derendyaev

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 638 KB

english, 1996

18

Crystal-chemical aspects of the structural similarity of rare earth polychalcogenides LnX2−x(x=0–0.25)

N. V. Podberezskaya, S. A. Magarill, N. V. Pervukhina, I. G. Vasilieva, S. V. Borisov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 1.81 MB

english, 1996

19

Can clathrate hydrates with an HS-2 structure exist?

V. I. Kosyakov, S. F. Solodovnikov, V. A. Shestakov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 296 KB

english, 1996

20

Crystal and molecular structure of 9-exo-(4-nitrophenyl)thio-10endo-chlorotricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 295 KB

english, 1996

21

Molecular and crystal structure of 2-phenyl-3-nitrosoindolizine

V. A. Tafeenko, O. Au, K. A. Paseshnichenko, L. A. Aslanov

Journal:

Journal of Structural Chemistry

Year:

1996

Language:

english

File:

PDF, 234 KB

english, 1996