Volume 86; Issue 3

Main
Journal of Molecular Structure: THEOCHEM
Volume 86; Issue 3

Journal of Molecular Structure: THEOCHEM

Volume 86; Issue 3

1

Molecular fragmentations: Part VI. Structures and energies of the valence isomers of benzene, and their molecular cations and anions

James R. Bews, Christopher Glidewell

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 476 KB

english, 1982

2

Molecular fragmentations: Part VII. Structures and energies of mass spectral fragments derived from benzene

James R. Bews, Christopher Glidewell

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 646 KB

english, 1982

3

Molecular fragmentations: Part VIII. Structures and energies of mass spectral fragments derived from tetraphosphorus trisulphide

James R. Bews, Christopher Glidewell

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 843 KB

english, 1982

4

Theoretical study of electron affinities, ionization potentials and photoionization cross-sections of chalcogen heterocyclopentadienes

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 450 KB

english, 1982

5

Theoretical studies on the geometric and electronic structure of substituted SCN isomers: Part 1. Non-empirical and MNDO results for some thiocyanates

Vincenzo Barone, Pierluigi Cristinziano, Francesco Lelj, Nino Russo

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 972 KB

english, 1982

6

The molecular and electronic structure of bicyclo-[1,1,0]butane, bicyclo[2,1,0]pentane, and bicyclo[3,1,0]-hexane as obtained by ab initio SCF calculations

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 755 KB

english, 1982

7

Ab initio studies of structural features not easily amenable to experiment: Part 15. The influence of solvation on molecular structure in some formic acid and carbonic acid hydrates

Lothar Schäfer, C. Van Alsenoy, J.N. Scarsdale, H.L. Sellers, J.F. Pinegar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 511 KB

english, 1982

8

Ab initio studies of structural features not easily amenable to experiment: Part 16. Some characteristic structural aspects of non-cyclic hydrocarbons

J.N. Scarsdale, C. Van Alsenoy, Lothar Schäfer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 485 KB

english, 1982

9

On the accuracy of a localised description of chemical bonding

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 432 KB

english, 1982

10

Ab initio studies of structural features not easily amenable to experiment: Part 19. Molecular structures and conformational analysis of 2-aminoethanol

C. Van Alsenoy, J.N. Scarsdale, J.O. Williams, Lothar Schäfer

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 307 KB

english, 1982

11

On the conformational flexibility of model compounds of β-substituted α, β-unsaturated peptides

David Ajò, Maurizio Casarin, Gaetano Granozzi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 261 KB

english, 1982

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