Volume 738; Issue 1-3

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Journal of Molecular Structure
Volume 738; Issue 1-3

Journal of Molecular Structure

Volume 738; Issue 1-3

1

Keggin polyoxometalate with pendant tricyclic, aromatic entity

Zhangang Han, Yulong Zhao, Jun Peng, Huiyuan Ma, Qun Liu, Enbo Wang

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 313 KB

english, 2005

2

Theoretical and NMR structural characterisation of a polymorphic azo dye

Antonio E.H. Machado, Lígia M. Rodrigues, Sanjay Gupta, Ana M.F. Oliveira-Campos, Artur M.S. Silva

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 213 KB

english, 2005

3

Spectroscopic study, antimicrobial activity and crystal structures of N-(2-hydroxy-5-nitrobenzalidene)4-aminomorpholine and N-(2-hydroxy-1-naphthylidene)4-aminomorpholine

Mustafa Yıldız, Hüseyin Ünver, Başaran Dülger, Diğdem Erdener, Nazan Ocak, Ahmet Erdönmez, Tahsin Nuri Durlu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 321 KB

english, 2005

4

Analysis of the vibrational spectra of trans-N,N′-bis-salicylidene-1′,2′-cyclohexanediamine tautomers

T. Dziembowska, K. Ambroziak, I. Majerz

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 209 KB

english, 2005

5

Intramolecular forces: the molecular structure and conformation of 2-cyclopropylpyridine and 4-cyclopropylpyridine

Marit Traetteberg, Karsten Rauch, Armin de Meijere

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 163 KB

english, 2005

6

Capability of X-ray diffraction to the determination of the macroscopic linear susceptibility in a crystalline environment: the case of 3-Methyl 4-Nitropyridine N-oxide (POM)

Abdelkader Chouaih, Fodil Hamzaoui, Gérard Vergoten

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 136 KB

english, 2005

7

Synthesis, crystal structure, IR and Raman properties of 1,2-diacetamidocyclohexane and its complexes with ZnBr2 and HBr3

A. Bekaert, P. Lemoine, B. Viossat, M. Jouan, P. Gemeiner, J.D. Brion

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 187 KB

english, 2005

8

Analytical calculation of far infrared spectra of ice in terms of a molecular model

V.I. Gaiduk, B.M. Tseitlin, D.S.F. Crothers

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 296 KB

english, 2005

9

Tautomerism of thymine on gold and silver nanoparticle surfaces: surface-enhanced Raman scattering and density functional theory calculation study

Kwang-Hwi Cho, Jaebum Choo, Sang-Woo Joo

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 138 KB

english, 2005

10

Ultraviolet spectrum and molecular orbital studies of bis(4-R-1,2-diphenylcyclo-pentadienylzirconium(IV) dichlorides complexes (R=H, Me, Ph)

Ze-Min Mei, Bao-zhong Zhao, Wei Gao, Qing shu, Ying Mu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 111 KB

english, 2005

11

Design and syntheses of two novel supermolecular frameworks through weak interactions

Yanqin Wang, Rong Cao, Wenhua Bi, Xing Li, Xiaoju Li, Daofeng Sun

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 599 KB

english, 2005

12

Using artificial neural networks to develop molecular mechanics parameters for the modelling of metalloporphyrins. III. Five coordinate Zn(II) porphyrins and the metalloprophyrins of the early 3d metals

Catherine E. Skopec, Janine M. Robinson, Ignacy Cukrowski, Helder M. Marques

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 380 KB

english, 2005

13

The 1D and 0D weakly hydrogen-bonded adducts 18-crown-6/4-phenylthiosemicarbazide (1/2) and cis–anti–cis-dicyclohexyl-18-crown-6/N,N′-diphenylthiourea (1/2)

Marina S. Fonari, Yurii A. Simonov, Gabriele Bocelli, Mark M. Botoshansky, Eduard V. Ganin

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 170 KB

english, 2005

14

The novel one-dimensional chain of europium(III) complex [Eu2(BTA)6(4,4′-bpdo)]n containing dimers bridged by terminal oxygen atoms of 4,4′-bpdo molecules

Shu-Lan Ma, Chuan-Min Qi, Qian-Ling Guo, Ming-Xin Zhao

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 266 KB

english, 2005

15

Layered zinc (II) and cadmium (II) dicarboxylates with aromatic chelate ligand-syntheses, crystal structures and luminescent properties

Chao Qin, Xinlong Wang, Enbo Wang, Lin Xu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 421 KB

english, 2005

16

ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li+ and Na+ cations

Błażej Gierczyk, Grzegorz Schroeder, Piotr Przybylski, Bogumil Brzezinski, Franz Bartl, Georg Zundel

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 540 KB

english, 2005

17

Studies on the interaction between 1-hexylcarbamoyl-5-fluorouracil and bovine serum albumin

Yan-Jun Hu, Yi Liu, Xue-Song Shen, Xian-Yang Fang, Song-Sheng Qu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 155 KB

english, 2005

18

X-ray crystallographic study of two dinuclear triply-bridged p-cymene osmium complexes

Bruno Therrien, Ludovic Vieille-Petit, Georg Süss-Fink

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 188 KB

english, 2005

19

Structural characterization of N-phosphoryl branched peptides

Yu-Ping Feng, Sheng-Li Cao, Yu-Fen Zhao

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 118 KB

english, 2005

20

Synthesis, characterization and crystal structures of two discrete Cu(II) complexes with mixed-ligands: [Cu(mal)(L)(H2O)]·H2O and [Cu(Phmal)(L)2] (mal=malonate dianion, phmal=phenylmalonate dianion and L=5,5′-dimethyl-2,2′-bipyridine)

Guang-Hua Cui, Jian-Rong Li, Tong-Liang Hu, Xian-He Bu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 164 KB

english, 2005

21

Design of peptides with α, β-dehydro-residues: synthesis and crystal structure of a tripeptide N-benzyloxycarbonyl-ΔVal-ΔPhe-l-Ala-OCH3

Vijay Kumar Goel, Sharmistha Dey, Tej P. Singh

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 183 KB

english, 2005

22

Infrared, X-ray and microscopic studies on the room temperature structure of anhydrous lead (II) n-alkanoates

Henry A. Ellis, Nicole A.S. White, Richard A. Taylor, Paul T. Maragh

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 171 KB

english, 2005

23

Infrared study of the vibrational behavior of CrO42− guest ions matrix-isolated in metal (II) sulfates (Me=Ca, Sr, Ba, Pb)

D. Stoilova, M. Georgiev, D. Marinova

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 169 KB

english, 2005

24

Potentiometric and AM1d studies of silicon podands—silver(I) complexes

Jaromir Kira, Bogusława Łęska, Grzegorz Schroeder, Piotr Przybylski, Bogumił Brzezinski

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 208 KB

english, 2005

25

1H and 13C chemical shift calculations for 12-oxa-pentacyclo[6.2.1.16,9.02,7.02,10]dodeca-4-eno systems using GIAO method at different levels of theory

F.D.P. Morisso, H. Stassen, P.R. Livotto, V.E.U. Costa

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 145 KB

english, 2005

26

Experimental and quantum-chemical calculations on some 1H-pyrazole-3-carboxamide and -3-carboxylate derivatives formation

İsmail Yıldırım, Fatma Kandemirli, Yunus Akçamur

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 184 KB

english, 2005

27

Coordination network: synthesis, characterization, crystal structure and packing of thallium m-nitrobenzenesulfonate, Tl(m-NO2C6H4SO3)

Raj Pal Sharma, Ritu Bala, Rajni Sharma, Joanna Raczyńska, Urszula Rychlewska

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

28

Oscillation of spontaneously generated optical activity in (±)-1-(p-nitrobenzoyloxy)indane solutions: ‘serial SN2 reactions’ in aggregates supported by the crystal structure. Frozen SN2 transition states and enantioselective distortions

Sosale Chandrasekhar, Deepak Chopra, Tayur N. Guru Row, Raghunandan Hota, Tapan Kanai

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 162 KB

english, 2005

29

Synthesis and crystal structure of 2-debenzoyl and 4-deacetyl 1-deoxybaccatin VI derivatives

Hai-Xia Lin, Yi- Jiang, Jian-Min Chen, Jian-Kuan Chen, Min-Qin Chen

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 324 KB

english, 2005

30

Two-dimensional structural topology involving Pt⋯K and K⋯S weak interactions: complex of cis–anti–cis-dicyclohexyl-18-crown-6 with K2mnt and K2PtCl4

Feng-ying Dong, Jian-min Dou, Da-cheng Li, Xi-ke Gao, Da-qi Wang

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 189 KB

english, 2005

31

Hydrothermal syntheses of a series of novel cis- and trans-pydc complexes with three-dimensional supramolecular architectures (pydc=pyridine-2,5-dicarboxylic acid)

Hong-Ling Gao, Cai Cheng, Bin Ding, Wei Shi, Hai-Bin Song, Peng Cheng, Dai-Zheng Liao, Shi-Ping Yan, Zong-Hui Jiang

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 565 KB

english, 2005

32

The influence of ortho-substitution within the ligand on the geometry of the tris(2,2′-bipyridine)ruthenium(II) and tris(1,10-phenanthroline)ruthenium(II) ions

Djulia Onggo, Marcia L. Scudder, Donald C. Craig, Harold A. Goodwin

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 252 KB

english, 2005

33

An N8O6 cryptand: the host for Ag+guests and H2O molecules

Zhen Ma, Rong Cao

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 150 KB

english, 2005

34

MIA-QSAR: a simple 2D image-based approach for quantitative structure–activity relationship analysis

Matheus P. Freitas, Steven D. Brown, José A. Martins

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

35

Vibrational spectroscopic encoding of polystyrene resin bead: a combined FT-IR and computational study

Zhen-Li Huang, Lie-Xiong Liu, Hong Lei, Yuan-Di Zhao

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 136 KB

english, 2005

36

Matrix isolation FTIR and DFT studies of methyl isocyanide-boron trifluoride complex

Ryuichi Hattori, Eiichi Suzuki, Kenji Shimizu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

37

Photochemical reactions of group 6 metal carbonyls with N-salicylidene-2-hydroxyaniline and bis-(salicylaldehyde)phenylenediimine

Samir M. El-Medani, Omyma A.M. Ali, Ramadan M. Ramadan

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 144 KB

english, 2005

38

Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water

Adriana Olbert-Majkut, Krzysztof Mierzwicki, Zofia Mielke

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 233 KB

english, 2005

39

Crystal chemistry of protonated 1,2-bis(di-R-aminomethyl)benzenes. Part VII: 1,2-bis(dipropylaminomethyl)benzene perchlorate

Elżbieta Bartoszak-Adamska, Mariusz Jaskólski, Hanna Urjasz, Bogumił Brzezinski

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

40

Syntheses and structures of two novel inorganic–organic hybrid octamolybdates: [H2enMe]2[Mo8O26]·2H2O and [Ni(2,2′-bpy)3]2[δ-Mo8O26]

Dongrong Xiao, Haiyan An, Enbo Wang, Lin Xu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 643 KB

english, 2005

41

Monoclinic and orthorhombic polymorphs of paracetamol—solid state linear dichroic infrared spectral analysis

Bojidarka B. Ivanova

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 389 KB

english, 2005

42

Layered solids based on second-sphere coordination interactions: synthesis, spectroscopic characterization, crystal structure and packing of two copper(II) naphthalene-2-sulfonates

Raj Pal Sharma, Rajni Sharma, Ritu Bala, Urszula Rychlewska, Beata Warżajtis

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 370 KB

english, 2005

43

Editorial board

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 59 KB

english, 2005

44

Author Index

Journal:

Journal of Molecular Structure

Year:

2005

File:

PDF, 40 KB

2005

45

Subject index

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 111 KB

english, 2005

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