Volume 754; Issue 1-3

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Journal of Molecular Structure
Volume 754; Issue 1-3

Journal of Molecular Structure

Volume 754; Issue 1-3

1

A new oxamato-bridged heterotrinuclear NiIICuIINiII complex with irregular spin state structure: Synthesis, spectroscopy, crystal structure and magnetism

Qing-Lun Wang, Li-Na Zhu, Dai-Zheng Liao, Shi-Ping Yan, Zong-Hui Jiang, Peng Cheng, Guang-Ming Yang

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 276 KB

english, 2005

2

Spectroscopic and PM5 semiempirical studies of new hydrazone of gossypol with 3,6-dioxaheptylhydrazine

Grzegorz Bejcar, Piotr Przybylski, Joanna Fusiara, Bogumil Brzezinski, Franz Bartl

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 224 KB

english, 2005

3

NMR J(13C,13C) spin–spin coupling constants in pyridine-carboxaldehydes. Experimental and DFT-B3LYP studies

Oscar E. Taurian, Dora G. De Kowalewski, Jorge E. Pérez, Rubén H. Contreras

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

4

Absorption, fluorescence, and semiempirical ASED-MO studies on a typical Brooker's merocyanine dye

Shakir T. Abdel-Halim, Mohamed K. Awad

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 187 KB

english, 2005

5

Reexamination of the structure of MoO(O2)2(H2O)(hmpa), hmpa=hexamethylphosphoramide by crystallographic and theoretical means

Craig A. Bayse, Ampa Jimtaisong, Anil K. Kandalam, Rudy L. Luck, Ravindra Pandey, Mark J. Stevens

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

6

Density functional theory assessment of the thermal degradation of diclofenac and its calcium and iron complexes

Ihsan M. Kenawi

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 252 KB

english, 2005

7

Conformational and NBO analysis on cis and trans isomers of methyl-1-(4-hydroxy-3-methoxyphenyl)-1,2,3,4-tetrahydro-9H-β-carboline-3-carboxylate

Lilian Tatiani Düsman, Cleverson Cassero Bocca, Ernani Abicht Basso, Maria Helena Sarragiotto

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 203 KB

english, 2005

8

A novel five-coordinated silver complex {[Ag(HPPz)4(NO3)](NO3)4} [PPz=trans-2-(2-phenylethenyl)pyrazine]: Self-assembly of supramolecular architecture based on anions

Xue-Fang Shi, Hui-Min Liu, Wen-Qin Zhang

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 215 KB

english, 2005

9

Microscopically structural studies of lithium niobate powders

Xu Zhang, Dongfeng Xue, Meinan Liu, Henryk Ratajczak, Dongli Xu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 554 KB

english, 2005

10

Hydrothermal synthesis, structural characterisation and magnetic behaviour of hybrid complexes of N-(phosphonomethyl)iminodiacetate

Fa-Nian Shi, Filipe A. Almeida Paz, Penka I. Girginova, Luís Mafra, Vítor S. Amaral, João Rocha, Anna Makal, Krzysztof Wozniak, Jacek Klinowski, Tito Trindade

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 538 KB

english, 2005

11

Spectroscopic and structural analysis of Ca substituted La orthoferrite

M.A. Ahmed, R. Seoudi, S.I. El-dek

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 196 KB

english, 2005

12

DFT studies of the structure, vibrational and NMR spectra of 2-amino-pyridine betaine monohydrate

M. Szafran, I. Kowalczyk, J. Koput

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 284 KB

english, 2005

13

1H, 13C NMR spectral and single crystal structural studies of toxaphene congeners. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts

K. Laihia, A. Valkonen, E. Kolehmainen, R. Suontamo, M. Nissinen, V. Nikiforov, S. Selivanov

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 183 KB

english, 2005

14

A study on the binding of two water-soluble tetrapyridinoporphyrazinato copper(II) complexes to DNA

Mozaffar Asadi, Elham Safaei, Bijan Ranjbar, Leila Hasani

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

15

Absorption and velocity of ultrasonic waves in thiophene, o-, p-xylenes and their mixtures

Bogumił B.J. Linde, N.B. Lezhnev

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 130 KB

english, 2005

16

A novel three-dimensional mixed bridging–ligand complex with an unexpected 1,3-diaminopropane bridge

Xiao-Ping Shen, Yi-Zhi Li, Ai-Hua Yuan, Zheng Xu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 222 KB

english, 2005

17

Coordination geometry of chromium(VI) species. The first example of cis-bridging chromate ions in helically structured catena(μ-CrO4-O,O′)[Ni(HIm)3H2O]

Marek Daszkiewicz, Wiesława Bronowska, Adam Pietraszko, Zbigniew Staszak, Maria Cieślak-Golonka

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 358 KB

english, 2005

18

Synthesis and crystal structures of two new Cd(II) complexes with 3-(2-pyridy)pyrazole-based ligand: influence of anions

Xue-Song Shi, Chun-Sen Liu, Jian-Rong Li, Yue Guo, Jiang-Ning Zhou, Xian-He Bu

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 319 KB

english, 2005

19

Spectral studies on VO2+ ions in potassium thiourea bromide single crystals using EPR and optical absorption spectroscopy

Ch. Linga Raju, K.V. Narasimhulu, N.O. Gopal, J.L. Rao, B.C.V. Reddy

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 157 KB

english, 2005

20

Editorial board

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 59 KB

english, 2005

21

Author Index

Journal:

Journal of Molecular Structure

Year:

2005

File:

PDF, 32 KB

2005

22

Subject index

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 80 KB

english, 2005