Volume 27; Issue 2

Journal of Molecular Structure

Volume 27; Issue 2

1

Ab initio SCF and CI study of the electronic structure and the n → π* excitation of CHoCHO, NH2CHO, HOCHO and FCHO

Tae-Kyu Ha, LXXX. Keller

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 611 KB

english, 1975

2

On the molecular structure of difluoroacetic acid as investigated by means of gas electron diffraction

J.M.J.M. Bijen, J.L. Derissen

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 463 KB

english, 1975

3

Raman spectra of gases: XIV. Hexachlorodisiloxane

J.R. Durig, M.J. Flanagan, V.F. Kalasinsky

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 898 KB

english, 1975

4

The microwave spectrum and structure of 1,2,4-triazole

K. Bolton, R.D. Brown, F.R. Burden, A. Mishra

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 352 KB

english, 1975

5

Spectroscopic investigations of β-dicarbonyl compounds: II. Structure of anomalous product from the formylation of 2-methylbenzoxazole ethoiodide

Miroslav Holík

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 225 KB

english, 1975

6

Calculation of the inversion barrier of ammonia with small optimized GTF basis sets

N.P. Marullo, B. Munsch

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 866 KB

english, 1975

7

The vibrational spectra of maleimide and N-D maleimide

T. Woldbæk, P. Klaboe, C.J. Nielsen

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 1.19 MB

english, 1975

8

Structural analysis by lanthanide shift reagents: IV. Conformation of the amide group as a function of the ring size in lactams

G. Montaudo, S. Caccamese, V. Librando, A. Recca

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 416 KB

english, 1975

9

Infrared and Raman spectra of phosphinotrihydroborate(1−), H2PBH3−, and its deuterated analogs H2PBD3− and D2PBH3

Erwin Mayer, Helmut Hofstötter

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 522 KB

english, 1975

10

Isolated CH stretching frequencies, bond lengths and strengths in chloro-alkanes

D.C. McKean, B.W. Laurie

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 763 KB

english, 1975

11

High-quality ab initio gaussian orbital calculations on some π -electron radicals and ions

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 383 KB

english, 1975

12

Infrared spectra of trans-nitro-bis(acetylacetonato)-mono(amine)cobalt(III) complexes

C.A. Fleming, D.A. Thornton

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 611 KB

english, 1975

13

Harmonic force field and mean amplitudes of 1,4-cyclo-hexadiene

O. Gebhardt, S.J. Cyvin

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 354 KB

english, 1975

14

Maximum-overlap hybridization in bicyclo [2.1.0] pent-2-ene

King-Mo Sun, Wai-Kee Li

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 334 KB

english, 1975

15

Contribution à l'étude structurale du tetrachloroiodate de césium. Calcul de la distribution des charges dans l'ion ICl−4 par résonan

J.P. Huvenne, P. Legrand, W. Gabès

Journal:

Journal of Molecular Structure

Year:

1975

File:

PDF, 398 KB

1975

16

Organophosphorus chemistry: Part VII: 31P NMR spectroscopy of triply and quadruply coordinated phosphorus derivatives

R.F. De Ketelaere, G.P. Van Der Kelen

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 416 KB

english, 1975

17

Quasi general harmonic force field and mode anharmonicity of the hypophosphite ion normal vibrations

V. Tabacik, M. Abenoza

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 887 KB

english, 1975

18

The force field and normal coordinates of spiropentane

G.R. Burns, D.G. McGavin, H. Wong

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 490 KB

english, 1975

19

Hydrogen bond studies 98: The system water—pyridine—infrared frequency and intensity measurements versus ab initio calculations part I infrared measurements

Mohammed Ali Hussein, Jan Almlöf, Jan Lindgren

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 344 KB

english, 1975

20

1,2-benz [A] anthracene: determination of bond angles and cartesian coordinates from crystallographic data

D.W. Beistel, Patricia Blair

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 327 KB

english, 1975

21

Spectra and structure of organophosphorus compounds: XI. Infrared and Raman spectra of (CH3)2PCl

J.R. Durig, J.E. Saunders

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 988 KB

english, 1975

22

Structural studies on some N-nitramines and N-nitrosamines

A.R. Farminer, G.A. Webb

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 279 KB

english, 1975

23

Concerning the physical solution of the inverse vibrational problem

N.F. Stepanov, G.S. Koptev, Yu.N. Panchenko

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 502 KB

english, 1975

24

A reply to the note of stepanov et al.[1]

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 202 KB

english, 1975

25

Mean amplitudes of vibration for 1,3-cyclohexadiene from spectroscopic data

S.J. Cyvin, O. Gerhardt

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 168 KB

english, 1975

26

The molecular structure of hexafluorodisilane, determined by gas phase electron diffraction

D.W.H. Rankin, A. Robertson

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 123 KB

english, 1975

27

On the use of a constraint on the force constants based on the so called kinetic constants

A.J.P. Alix, A. Müller, N. Mohan

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 210 KB

english, 1975

28

A systematic semi-general algorithm for inverse kinetic energy (G) matrix calculation

John C. Whitmer

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 256 KB

english, 1975

29

Computer-drawn backgrounds for gas phase electron diffraction analysis using spline functions

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 72 KB

english, 1975

30

Author index

Journal:

Journal of Molecular Structure

Year:

1975

File:

PDF, 64 KB

1975

31

Subject index

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 206 KB

english, 1975

32

On the matrix formulation of absolute infrared intensities

N. Mohan, A. Müller

Journal:

Journal of Molecular Structure

Year:

1975

Language:

english

File:

PDF, 430 KB

english, 1975