Volume 28; Issue 2

Journal of Structural Chemistry

Volume 28; Issue 2

1

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

K. Ya. Burshtein

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 612 KB

english, 1987

2

Experimental and theoretical investigation of the electronic structure and spectra of the MoN molecule

E. A. Pazyuk, E. N. Moskvitina, V. M. Kovba, I. A. Topol'

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 618 KB

english, 1987

3

Investigation of the energy structure of linear π-conjugated molecules by the method of effective additive parameters

G. G. Dyadyusha, M. N. Ushomirskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 777 KB

english, 1987

4

Efficient way of including self-interaction in the problem of self-consistent field

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 566 KB

english, 1987

5

Conformational analysis of carbohydrate nitrates and the dependence of their vibrational spectrum on the type of nitro group rotamer

V. M. Andrianova, R. G. Zhbankov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 627 KB

english, 1987

6

Quadrupole effects and NMR relaxation in KVF6

S. P. Gabuda, V. K. Goncharuk, B. D. Zil'berman, S. G. Kozlova, Yu. G. Kriger

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 620 KB

english, 1987

7

13C NMR spectra and structure of azo derivatives of phenol and resorcinol

L. A. Fedorov, S. A. Sokolovskii, A. N. Ermakov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 595 KB

english, 1987

8

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

V. G. Yarzhemskii, V. I. Nefedov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 297 KB

english, 1987

9

Atomic configurations in close-packed lennard-jones systems

N. N. Medvedev, V. P. Voloshin, Yu. I. Naberukhin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 668 KB

english, 1987

10

New boundary conditions in monte carlo methods: Calculations on pure water

I. I. Sheikhet, V. N. Levchuk, B. Ya. Simkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 479 KB

english, 1987

11

Effects of boundary conditions on structure and energy calculations for aqueous methane solutions

I. I. Sheikhet, B. Ya. Simkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 480 KB

english, 1987

12

A dynamic hydrogen-bond criterion in the numerical simulation of water

G. G. Malenkov, M. M. Frank-Kamenetskii, A. G. Grivtsov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 355 KB

english, 1987

13

Pseudorotation and conformational transitions in crystal structures having trigonal prismatic coordination

V. A. Shchegolev, I. D. Derlugyan, P. D. Derlugyan

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 293 KB

english, 1987

14

Features of the stereochemical structure of the n-propanol molecule

A. A. Abdurakhmanov, G. I. Ismailzade

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 503 KB

english, 1987

15

Crystal and molecular structure of four disubstituted adamantanes

A. E. Prozorovskii, V. A. Tafeenko, V. B. Rybakov, É. A. Shokova, V. V. Kovalev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 635 KB

english, 1987

16

Molecular structures of two γ-sultones of 1-(3-hydroxyhomoadamantyl-4)isoalkane-1-sulfonic acids

V. A. Tafeenko, L. A. Aslanov, A. E. Prozorovskii, V. V. Kovalev, É. A. Shokova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 406 KB

english, 1987

17

Crystal structure of cis and trans 2,8-dihydroxy-2,4,4,6,6,8,10,10,12,12-decamethylcyclohexasiloxane

N. G. Furmanova, V. I. Andrianov, N. N. Makarova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 521 KB

english, 1987

18

Crystal and molecular structure of bis(5,5-dimethyl-1,3-dioxan-2-YL)

M. A. Khusainov, Z. A. Starikova, R. S. Musavirov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 391 KB

english, 1987

19

Three-dimensional structure of 3,9-diphenyl-3,9-dimethyl-2,4,8,10-tetraoxaspiro[5,5]undecane

M. A. Khusainov, A. E. Obodovskaya, Z. A. Starikova, R. S. Musavirov, D. L. Rachmankulov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 420 KB

english, 1987

20

Crystal structure of 2′,4,4′-trinitro-2-carboxybiphenyl and 4,4′,6,6′-tetranitro-2,2′-dicarboxybiphenyl

E. G. Popova, L. A. Chetkina, V. K. Bel'skii, A. M. Andrievskii, A. N. Poplavskii, K. M. Dyumaev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 494 KB

english, 1987

21

Structure of organophosphorus compounds. XXXV. X-ray diffraction study of 1,3-dimethyl-2,2,4,4-tetra-(N,N-dimethylamino)-1,3-diaza-2λ4,4λ4-diphosphetidine-2,4-dionium dichloride

A. N. Chernega, M. Yu. Antipin, Yu. T. Struchkov, I. E. Boldeskul, A. P. Marchenko, A. M. Pinchuk

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 309 KB

english, 1987

22

Exchange-correlation density functions in the theory of many-electron systems

O. V. Gritsenko, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 2.53 MB

english, 1987

23

An example of a chiral set discontinuous at any point

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 152 KB

english, 1987

24

Ester-group conformations in carbamates, allophanates, and methacrylates

N. V. Kozak, Yu. N. Nizel'skii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 236 KB

english, 1987

25

A program for searching for semiempirical parameters by the MNDO method

A. A. Bliznyuk, A. A. Voityuk

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 249 KB

english, 1987

26

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

V. S. Mastryukov, M. É. Poloznikova, A. V. Golubinskii, L. V. Vilkov, Yu. A. Pentin, R. Stölevik

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 137 KB

english, 1987

27

Investigation of the state of the intracyclic protons in tetrabenzotriazaporphin by PRM spectroscopy

N. Yu. Borovkov, A. S. Akopov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 167 KB

english, 1987

28

Structure of the proton skeleton of nitrobenzene, determined by1H NMR in the nematic phase

A. G. Shakhatuni, G. A. Panosyan, V. A. Chertkov, N. M. Sergeev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 342 KB

english, 1987

29

Quadrupole interactions and NMR relaxation in KSbF6

S. G. Kozlova, Yu. G. Kriger, V. K. Goncharuk

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 264 KB

english, 1987

30

Refinement of the structure and composition of the tetrahydrate of hafnium hexasodium sulfate

V. Ya. Kuznetsov, L. M. Dikrareva, D. L. Rogachev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 244 KB

english, 1987

31

Chelate compounds of boron with N-phenyl-N′-(pyridyl-2)thiourea

I. A. Teslya, Z. A. Starikova, V. A. Dorokhov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 251 KB

english, 1987

32

New crystalline modification of dimeric bicyclopentadienyltitanium (III) chloride — C20H20Ti2Cl2

V. K. Bel'skii, I. V. Sokolova, B. M. Bulychev, A. I. Sizov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 171 KB

english, 1987

33

Crystal and molecular structure of 1-(p-chlor-N-methylbenzamide) germatrane

S. N. Grukova, A. I. Gusev, N. V. Alekseev, O. A. Dombrova, T. K. Gar

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 294 KB

english, 1987

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