Volume 198; Issue none

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Journal of Molecular Structure
Volume 198; Issue none

Journal of Molecular Structure

Volume 198; Issue none

1

W.J. Orville-Thomas

A.J. Barnes, C.N.R. Rao, H. Ratajczak

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 77 KB

english, 1989

2

Gas-phase structures of di-t-butyl ether and t-butyl methyl ether

Siegfried Liedle, Hans-Georg Mack, Heinz Oberhammer, Mita R. Imam, Norman L. Allinger

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 917 KB

english, 1989

3

Benzenoids with hexagonal symmetry, including the rare animals “all-flakes”

S.J. Cyvin, B.N. Cyvin, J. Brunvoll

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.04 MB

english, 1989

4

Force-field calculations on and the Raman spectra of NHnD3−n (0 ⩽ n ⩽ 3) molecules trapped in solid nitrogen

A. Loutellier, J.-P. Perchard

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 832 KB

english, 1989

5

Triatomic model of hydrogen-bond stretching modes in hydrogen-bonded dimers B⋯HX

Z. Kisiel, A.C. Legon, D.J. Millen

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 405 KB

english, 1989

6

Anomalous double minima in the angular variation of endor transitions

Charles A. McDowell, Devulapalli L. Sastry

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 525 KB

english, 1989

7

Differences in the structures of highly polar and hydrogen-bonded liquids

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 713 KB

english, 1989

8

The basicity of the two carbonyl bonds in uracil derivatives

Th. Zeegers-Huyskens

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 504 KB

english, 1989

9

Ab initio study of the effect of cation binding on the electronic structure of proteins

A.K. Bakhshi, J. Ladik, P. Otto

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1021 KB

english, 1989

10

Bond-dissociation energies of organic compounds. A tentative rationalization based on the concept of stabilization energy

G. Leroy, M. Sana, C. Wilante, R.M. Nemba

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 818 KB

english, 1989

11

An MO study of the transferability of infrared intensity parameters in alkyl ethers

S. Ilieva, B. Galabov

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 551 KB

english, 1989

12

The quantitative prediction and interpretation of the vibrational spectra of organophosphorus compounds: Part II. Methylphosphonic difluoride CH3(PO)F2, methylphosphonothioic difluoride CH3(PS)F2 and methylphosphonofluoridic acid CH3(PO)FOH

Jozef S. Kwiatkowski, Kuhalim Kubulat, Willis B. Person, Rodney J. Bartlett, Jerzy Leszczynski

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.04 MB

english, 1989

13

Electronic structure and bonding of transition metal complexes MCO (M  Ru, Os)

A. Daoudi, M. Suard, J.C. Barthelat, G. Berthier

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 452 KB

english, 1989

14

The conjugated-circuit model: application to benzenoid hydrocarbons

Sonja Nikolić, Milan Randić, Douglas J. Klein, Dejan Plavšić, Nenad Trinajstić

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 911 KB

english, 1989

15

Vibrational spectra and conformational analysis of chloromethylchloroformate

F. Daeyaert, B.J. Van der Veken

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.42 MB

english, 1989

16

A study of orbital interactions in the reactions of bicyclo[1.1.0]butane

Hiroshi Fujimoto, Toshihide Yabuki, Kenichi Fukui

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 559 KB

english, 1989

17

Nature of the protonic species and the gel—crystal transition in hydrated zirconium phosphate

Philippe Colomban, Alexandre Novak

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.39 MB

english, 1989

18

Quantum-mechanical studies of the structures of cytosine dimers and guanine—cytosine pairs

Ryszard Czerminski, Jozef S. Kwiatkowski, Willis B. Person, Krystyna Szczepaniak

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 590 KB

english, 1989

19

The electronic spectra of benzo[b]thiete and transient o-thiobenzoquinonemethide. Spectral assignments on the basis of the electronic spectra of aniline, thiophenol, thioanisole, all-trans-octatetraene and transient o-xylylene in conjunction with quantum-chemical calculations

Armin Schweig, Frank Diehl, Karl Kesper, Hermann Meyer

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.24 MB

english, 1989

20

Complexation of guanine with dissolved oxygen in solution and study of excited-state lifetime

C. Santhosh, P.C. Mishra

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 695 KB

english, 1989

21

Intramolecular sulphur—oxygen interaction in organosulphur compounds with different sulphur valence state: an X-ray study of methyl-2-nitrobenzene-sulphenate, -sulphinate, -sulphonate and 2-nitrobenzenesulphenyl chloride

Á. Kucsman, I. Kapovits, M. Czugler, L. Párkányi, A. Kálmán

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 881 KB

english, 1989

22

Intramolecular sulphur(II)—oxygen interaction in acyl chlorides: an X-ray study of 2,2′-thiodibenzoyl chloride and 2,2′-dithiodibenzoyl chloride

L. Párkányi, A. Kálmán, Á. Kucsman, I. Kapovits

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 570 KB

english, 1989

23

Conformational stability, barriers to internal rotation, ab initio calculations and vibrational assignment of fluoroacetyl fluoride

J.R. Durig, H.V. Phan, J.A. Hardin, R.J. Berry, T.S. Little

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.50 MB

english, 1989

24

Raman and infrared spectroscopic studies of the low- and high-temperature forms of octahalo cyclic phosphazene tetramers, P4N4Cl8 and P4N4F8

Vijay Varma, J.R. Fernandes, C.N.R. Rao

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 520 KB

english, 1989

25

Bonded tableau method for many-electron systems

Zhang Qianer, Li Xiangzhu

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 735 KB

english, 1989

26

Critical appraisal of some current semiempirical methods in calculating ESCA chemical shifts

Z.B. Maksić, S. Supek

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 519 KB

english, 1989

27

An infrared study of the effect of liquid ammonia on wood surfaces

Noel L. Owen, Zenon Pawlak

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 877 KB

english, 1989

28

FTIR study of the protonation of a schiff base in chloroform-methanol mixtures

C. Rhofir, H. Le-Thanh, D. Vocelle, C. Sandorfy

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 601 KB

english, 1989

29

A simple way to obtain information on charge distribution in molecules directly from infrared spectra: the case of CH bonds

C. Castiglioni, M. Gussoni, G. Zerbi

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 901 KB

english, 1989

30

Reversible proton transfer in the 2,3,5,6-tetrachlorophenol-N,N-dimethylaniline hydrogen-bonded complex studied by low-temperature 1H NMR spectroscopy

Marek Ilczyszyn, Henryk Ratajczak, John A. Ladd

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 322 KB

english, 1989

31

Sulfur-edge X-ray absorption near edge spectra (XANES) of some thiometallates and thiometallato complexes

V. Wittneben, A. Sprafke, E. Diemann, A. Müller, M. Kuetgens, R. Chauvistré, J. Hormes

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 299 KB

english, 1989

32

Potential energy surfaces for the HCN dimer and trimer hydrogen-bonded complexes

W.B. De Almeida, A. Hinchliffe

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 2.12 MB

english, 1989

33

Analysis of the infrared absorption spectra of solutions of water in some organic solvents: Part 2. Measurement of band intensities

S.O. Paul, T.A. Ford

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 716 KB

english, 1989

34

The quantum theory, calculation method and properties of the electro-optical parameters of some polyatomic organic compounds

Lev A. Gribov, S.V. Kotov

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.82 MB

english, 1989

35

The potential energy surface and equilibrium geometry of Ar··PH3

Zdzisław Latajka, Steve Scheiner

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 583 KB

english, 1989

36

A theoretical study of the C3H42+ potential energy surface

Ming Wah Wong, Leo Radom

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 788 KB

english, 1989

37

Proton transfer in the HCOOH·CH3NH2 complex. Ab initio study with various basis sets and solvent reaction field

Milan Hodošček, Dušan Hadži

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 831 KB

english, 1989

38

An ab-initio SCF-MO study of the solvent effect in α-substituted carbanions

Fernando Bernardi, Giorgio Suzzi Valli, Alessandro Venturini

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 527 KB

english, 1989

39

Polarized infrared and Raman spectra of caesium hydrogen succinate monohydrate single crystal

M.M. Ilczyszyn, H. Ratajczak, A.J. Barnes

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 1.07 MB

english, 1989

40

Author index

Journal:

Journal of Molecular Structure

Year:

1989

File:

PDF, 52 KB

1989

41

Subject index

Journal:

Journal of Molecular Structure

Year:

1989

Language:

english

File:

PDF, 179 KB

english, 1989