Volume 323; Issue none

Main
Journal of Molecular Structure
Volume 323; Issue none

Journal of Molecular Structure

Volume 323; Issue none

1

Comparative molecular mechanics study of the high-spin nickel(II) complexes of an extended series of tetraaza macrocycles

Kenneth R. Adam, Ian M. Atkinson, Michael Antolovich, Larry G. Brigden, Leonard F. Lindoy

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 847 KB

english, 1994

2

Maximum entropy analysis of NMR data of flexible multirotor molecules partially oriented in nematic solution: 2,2′:5′,2″-terthiophene, 2,2′- and 3,3′-dithiophene

Stefano Caldarelli, Donata Catalano, Lorenzo Di Bari, Marco Lumetti, Maurizio Ciofalo, Carlo Alberto Veracini

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 1.08 MB

english, 1994

3

Photoelectron spectra and electronic structure of cyclopropanols

Paul Rademacher, Klaus Kowski, Armin de Meijere, Vladimir Chaplinski

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 265 KB

english, 1994

4

A vibrational molecular force field of model compounds with biological interest. V. Harmonic dynamic of N-acetyl-α-d-glucosamine in the crystalline state

I. Kouach-Alix, G. Vergoten

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 862 KB

english, 1994

5

Vibrational and conformational study of FSO2NCO: FT-IR, preresonance Raman effect, force field and theoretical calculations

R.M.S. Alvarez, E.H. Cut]'in, H.-G. Mack, C.O. Della Védova

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 843 KB

english, 1994

6

14N and 15N NMR study of 2,1,3-thiadiazolium-5-olate and related compounds

Wiktor Koźmiński, Jarosław Jaźwińska, Lech Stefaniak, Graham A. Webb

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 243 KB

english, 1994

7

The structure and tautomeric properties of 2-(3-pyridylmethyliminomethyl)phenol

Z. Cimerman, R. Kiralj, N. Galić

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 725 KB

english, 1994

8

Announcement

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 78 KB

english, 1994

9

Rotational isomerism in CH3C(S)SCH3 and CH3C(S)SCH2CH3: a combined vibrational spectroscopic and ab initio study

R. Fausto, A. Gabriela Martins, J.J.C. Teixeira-Dias, P.J. Tonge, P.R. Carey

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 848 KB

english, 1994

10

Microwave spectrum and structure of 3,6-dihydro-1,2-dioxin

Mitsutoshi Tanimoto, Toshihiko Kondo

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 447 KB

english, 1994

11

Vibrational spectra of gaseous and liquid tetrakis(dimethylamido)titanium, Ti[N(CH3)2]4, and tetrakis(diethylamido)titanium, Ti[N(C2H5)2]4

M.G.M. van der Vis, R.J.M. Konings, A. Oskam, R. Walter

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 634 KB

english, 1994

12

Coordination of the ϵ-NH2 group of the lysyl residue in the CuTyrLys · 3H2O single crystal

Barbara Radomska, Tadeusz Głowiak, Maria Kubiak

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 639 KB

english, 1994

13

Vibrational spectra of solid CrF4 and of three new fluorochromate(IV) complexes with Xe fluorides, XeF2·CrF4, (XeF+5CrF−5)4·XeF4 and XeF+5CrF−5

S. Milićev, K. Lutar, B. Žemva, T. Ogrin

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 499 KB

english, 1994

14

Synthesis and structural and conformational study of 3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one oxime and its tautomer imine N-oxide

M.J. Fernández, R. Huertas, E. Gálvez, J. Sanz-Aparicio, I. Fonseca, J. Bellanato

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 441 KB

english, 1994

15

Structural studies of some 5-(perfluoroalkenyl) uracils

Henryk Koroniak, Piotr Fiedorow, Donata Pluskota, Piotr Karwatka, Khalil A. Abboud

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 570 KB

english, 1994

16

A 13C and 15N NMR investigation of two proton sponges in solution and in the solid state

J. Klimkiewicz, L. Stefaniak, B. Brzeziński, E. Grech, S. Kuroki, I. Ando, G.A. Webb

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 244 KB

english, 1994

17

On the bioactive conformation of R(+)-8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-1H-3-benzazepin-7-ol

M.L. Verdonk, K. Voogd, J.A. Kanters, J. Kroon, F.B. van Duijneveldt

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 794 KB

english, 1994

18

Vibrational states of acenaphthylene. Linear dichroism in nematic solvent and normal coordinate analysis

Goran Baranović, Božidar Jordanov, Bernhard Schrader

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 907 KB

english, 1994

19

Solid-state variable-temperature NMR study of the phase separation of polybutadiene polyurethane zwitterionomers

G. Yang, Q. Chen, Y. Wang, C. Yang, X. Wu

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 558 KB

english, 1994

20

Structural investigation of a hindered aromatic amine and its derivatives

Angelo G. Giumanini, Giancarlo Verardo, Sergio Bruckner, Luciana Malpezzi, Giovanni Cerioni

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 916 KB

english, 1994

21

A modified MM2 force field for high-valent di-μ-oxo manganese dimers

Rajesh Manchanda, Marc Zimmer, Gary W. Brudvig, Robert H. Crabtree

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 796 KB

english, 1994

22

Structural study of peptides containing l-alanine residues by ab initio chemical shielding calculation

Naoki Asakawa, Hiromichi Kurosu, Isao Ando

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 588 KB

english, 1994

23

Low temperature crystal structure and molecular conformation of l-(+)-lactic acid

A. Schouten, J.A. Kanters, J. van Krieken

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 286 KB

english, 1994

24

Hydrogen bonding Part 58. Infrared study of the decamethonium halide dihydrates, identification of an unequivocal C2h (H2O·I−)2 cluster, and an overview of quaternary ammonium halide monohydrate structure

Kenneth M. Harmon, Dawn M. Brooks

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 669 KB

english, 1994

25

Microwave spectrum and quadrupole coupling constant of 2-chlorobenzonitrile

Masao Onda, Masahiro Sakuma, Tatsuji Shimoe, Noriyuki Saegusa, Ichiro Yamaguchi

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 155 KB

english, 1994

26

Author index

Journal:

Journal of Molecular Structure

Year:

1994

File:

PDF, 75 KB

1994

27

Subject index

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 300 KB

english, 1994

28

Spectroscopic modifications of Pippard relations and their application to NH4Cl

H. Yurtseven, W.F. Sherman

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 387 KB

english, 1994

29

Infrared and Raman spectra of (η6-C6H6−nXn)Cr(CO)3 complexes where X = Me (n = 0–6) or OMe (n = 0–2). A study of metal—ligand interactions

R.S. Armstrong, M.J. Aroney, C.M. Barnes, K.W. Nugent

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 1.51 MB

english, 1994

30

Theoretical conformational analysis of seven-membered rings. V. MM2 and MM3 study of oxepane

A. Espinosa, M.A. Gallo, A. Entrena, J.A. Gómez

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 902 KB

english, 1994

31

Announcement

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 110 KB

english, 1994

32

An intramolecular hydrogen-bonded system with large proton polarizability — a model with regard to the proton pathway in bacteriorhodopsin and other systems with collective proton motion

Bogumil Brzeziński, Piotr Radziejewski, Jerzy Olejnik, Georg Zundel

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 546 KB

english, 1994

33

Infrared spectroscopic studies on the Hofmann-Td-type complexes: Mn(pyridine)2Cd(CN)4 and Mn(pyridine)2Hg(CN)4

Z. Kantarci, N. Karacan, B. Davarcioǧlu

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 449 KB

english, 1994

34

Calculation of vibrational frequencies of sulphur compounds using semiempirical molecular orbital methods (AM1, PM3, MNDO)

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 914 KB

english, 1994

35

The GeSi bond in silylgermane. Discrepancy between experiment and theory

Heinz Oberhammer, Thomas Lobreyer, Wolfgang Sundermeyer

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 313 KB

english, 1994

36

Hydrogen-bonding structural study of solid peptides and polypeptides containing a glycine residue by 17O NMR spectroscopy

Shigeki Kuroki, Akihiro Takahashi, Isao Ando, Akira Shoji, Takuo Ozaki

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 905 KB

english, 1994

37

Molecular dynamics simulations of trans- and cis-N-acetyl-N′-methylamides of XaaPro dipeptides

Seung Hoon Choi, Jeong Yun Yu, Jae Kwang Shin, Mu Shik Jhon

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 880 KB

english, 1994

38

The effect of fluorination in trimethylamine: gas-phase structures of CF3N(CH3)2 and (CF3)2NCH3

Anding Jin, Xiao-Lei Zhu, Robert L. Kirchmeier, Jean'ne M. Shreeve, Nimesh R. Patel, Heinz Oberhammer

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 444 KB

english, 1994

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