Volume 106; Issue 3-4

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Journal of Molecular Structure: THEOCHEM
Volume 106; Issue 3-4

Journal of Molecular Structure: THEOCHEM

Volume 106; Issue 3-4

1

Electronic structure and force constants of the dithionitronium cation NS2+

I. Silaghi-dumitrescu, I. Haiduc

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 422 KB

english, 1984

2

The electron diffraction determination of anharmonic force field of CO2 for curvilinear internal coordinates

A.G. Gershikov, A.Ya. Nasarenko, V.P. Spiridonov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 449 KB

english, 1984

3

Second-order perturbation approach to anharmonic analysis of molecules by electron diffraction: Part 1. Diatomic molecules

A.Ya Nasarenko, V.P. Spiridonov, B.S. Butayev, A.G. Gershikov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 483 KB

english, 1984

4

The structure of formamidine pesticides in relation to their action on octopaminergic systems

Camillo Tosi, Luisa Barino, Raimondo Scordamaglia

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 611 KB

english, 1984

5

Theoretical study on the stable conformers of 1,3-diazetidine

J. Catalán, O. Mó, P. Pérez, M. Yáñez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 420 KB

english, 1984

6

Geometries and rotation barriers of 2-methyl-1,3-butadiene and of 2,3-dimethyl-1,3-butadiene by ab initio gradient calculation

Karen Kavana-Saebø, Svein Saebø, James E. Boggs

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 727 KB

english, 1984

7

Nature of the LiC bond in simple organolithium compounds: A transition operator-based MO electronegativity approach

K.D. Sen, M.C. Böhm, P.C. Schmidt

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 382 KB

english, 1984

8

Electron densities and resonance interactions in substituted benzenes, ethylenes and acetylenes

Stephen Marriott, Ronald D. Topsom

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 590 KB

english, 1984

9

Intermolecular potentials using partial charges in quantum mechanical calculations

Alastair F. Cuthbertson, Christopher B. Naylor, W.Graham Richards

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 227 KB

english, 1984

10

General quadratic force field of the sulfate ion and the relationships between different force fields in tetrahedral molecules

Santiago Alvarez, Vlado Tabacik, Jaime Casabo

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 491 KB

english, 1984

11

An ab initio model study of the medium effect on proton transfer in the methylamine—formic acid complex

J. Koller, M. Hodošček, D. Hadži

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 409 KB

english, 1984

12

Investigation of benzimidazoles: Part IV. MINDO/3 and INDO calculations of 2-substituted nitrobenzimidazoles

V.A. Lopyrev, L.I. Larina, T.I. Vakul'skaya, M.G. Voronkov, V.A. Bolotin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 678 KB

english, 1984

13

Charge density distribution in small strained rings. A local hybrid overlap study

Lj. Vujisić, D.Lj. Vučković, Z.B. Maksić

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 727 KB

english, 1984

14

Molecular mechanics calculations of conformational structures, energies and torsional force constants in halogen-substituted propenes, 1,3-butadienes and biphenyls

R. Stølevik, Ø. Thingstad

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 1.26 MB

english, 1984

15

Force fields and mean amplitudes of vibration of chromium, molybdenum and tungsten oxotetrafluorides

I.V. Kochikov, A.G. Yagola, G.M. Kuramshina, V.M. Kovba, Yu.A. Pentin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 348 KB

english, 1984

16

Ab initio study of the hydrogen-bonded complexes H2X⋯HY (X = O, S, Se: Y = F, Cl, Br)

Alan Hinchliffe

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 299 KB

english, 1984

17

ETO multicenter molecular integrals : edited by Charles A. Weatherford and Herbert W. Jones, D. Reidel, Dordrecht, Boston, London, pp. 186 + xvii, price Dfl. 85.00.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 79 KB

english, 1984

18

Modern quantum theory : by Attila Szabo Neil S. Ostlund, MacMillan, New York, 1982, pp. xvi + 446, price £36.00.

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

File:

PDF, 21 KB

1984

19

Author index

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

File:

PDF, 32 KB

1984

20

Subject Index

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 92 KB

english, 1984

21

Ab initio molecular orbital calculations for chemists

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 82 KB

english, 1984