Volume 1022; Issue none

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Journal of Molecular Structure
Volume 1022; Issue none

Journal of Molecular Structure

Volume 1022; Issue none

1

1,3-Bis(3-ammonium-propyl)tetramethyldisiloxane-sulfate: Structural characterization and evaluation of some properties

Alexandra Nistor, Alina Soroceanu, Sergiu Shova, Maria Cazacu

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 724 KB

english, 2012

2

Equilibrium among potassium polytellurides in N,N-dimethylformamide solution

Jason L. McAfee, Jeremy R. Andreatta, Richard S. Sevcik, Linda D. Schultz

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 344 KB

english, 2012

3

Growth and characterization of nano-structured Sn doped ZnO

A.D. Acharya, Shweta Moghe, Richa Panda, S.B. Shrivastava, Mohan Gangrade, T. Shripathi, D.M. Phase, V. Ganesan

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

4

Synthesis, characterization and electrochemistry of novel unsymmetrical zinc phthalocyanines sensitizer with extended conjugation

Xuejun Zhang, Lijun Mao, Dan Zhang, Lei Zhang

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.02 MB

english, 2012

5

Crystal and molecular structure of ammonium beryllium sulfate dihydrate, (NH4)2Be(SO4)2·2H2O

M. Wildner, V. Karadjova, D. Marinova, M. Georgiev, D. Stoilova

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 836 KB

english, 2012

6

The tautomerism of fluorinated indazolinones in the solid state

Carlos Pérez-Medina, Concepción López, M. Pilar Cabildo, Rosa M. Claramunt, M. Carmen Torralba, M. Rosario Torres, Ibon Alkorta, José Elguero

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 754 KB

english, 2012

7

DFT/PCM, QTAIM, 1H NMR conformational studies and QSAR modeling of thirty-two anti-Leishmania amazonensis Morita–Baylis–Hillman Adducts

Edilson B.A. Filho, Ingrid A. Moraes, Karen C. Weber, Gerd B. Rocha, Mário L.A.A. Vasconcellos

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.46 MB

english, 2012

8

FT-IR and Raman spectra, DFT and SQMFF calculations for geometrical interpretation and vibrational analysis of 3-nitro-p-toluic acid

A. Nataraj, V. Balachandran, T. Karthick

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.32 MB

english, 2012

9

Structure, Z/E photoisomerization and an effect of (phenylene-)vinylene conjugation extension on absorption and fluorescence of methylidene-pyrrolinones

Stanislav Luňák Jr., Zdeněk Eliáš, Jan Vyňuchal, Antonín Lyčka, Zdeňka Padělková, Radim Hrdina

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 978 KB

english, 2012

10

EPR studies of radicals generated by γ-radiation in nanocrystalline hydroxyapatites prepared by dry milling

Jarosław Sadło, Lukasz Pajchel, Jacek Michalik, Waclaw Kolodziejski

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 388 KB

english, 2012

11

Synthesis and characterization of three dinuclear complexes of AgI with 2,3-bis(2-pyridyl)pyrazine and derivated of trifluoromethyldiketonate ligands

Farzin Marandi, Afsaneh Marandi, Mohammad Ghadermazi, Mohammad Rafiee, Harald Krautscheid

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 960 KB

english, 2012

12

Convenient synthesis of quinocetone metabolites: Characterization, theoretical investigation, and cytotoxicity study

Jiaheng Zhang, Linxia Li, Yubo Li, Bing Peng, Songqing Li, Zhiqiang Zhou, Haixiang Gao, Suxia Zhang

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 415 KB

english, 2012

13

Structural and spectroscopic characterization of a novel potential chemotherapeutic agent 3-(1-adamantyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-1H-1,2,4-triazole-5(4H)-thione by first principle calculations

Ali A. El-Emam, Abdul-Malek S. Al-Tamimi, Khalid A. Al-Rashood, Hriday N. Misra, Vijay Narayan, Onkar Prasad, Leena Sinha

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 946 KB

english, 2012

14

Electronic structure investigations of 4-methyl-3-penten-2-one by UV–Visible and NMR spectral studies and natural bond orbital analysis by DFT calculations

V. Arjunan, A. Jayaprakash, R. Santhanam, S. Thillai Govindaraja, S. Mohan

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.43 MB

english, 2012

15

Supramolecularly assembled tetrameric water cluster stabilized by a mixed complex of Ni(II) and 5-aminoisophthalate

Alper Tolga Çolak, Handan Günay, Okan Zafer Yeşilel, Ersin Temel, Orhan Büyükgüngör

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 727 KB

english, 2012

16

Structure of six anhydrous molecular salts assembled from noncovalent associations between carboxylic acids and bis-N-imidazoles

Shouwen Jin, Ming Guo, Daqi Wang

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.39 MB

english, 2012

17

Energetics of polybenzene multi-tori

Beata Szefler, Oana Ponta, Mircea V. Diudea

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 964 KB

english, 2012

18

A biologically relevant iron(III) phenoxyl radical complex: A thermodynamic investigation on the structure-radical stability relationship

Iraj Saberikia, Elham Safaei, Mohammad Rafiee, Patricia Cotič, Giuseppe Bruno, Hadi Amiri Rudbari

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.00 MB

english, 2012

19

Experimental and theoretical study on the reaction of N3-phenyl-(pyridin-2-yl)carbohydrazonamide with itaconic anhydride

Bożena Modzelewska-Banachiewicz, Renata Paprocka, Liliana Mazur, Jarosław Saczewski, Jolanta Kutkowska, Dorota K. Stępień, Michał Cyrański

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.10 MB

english, 2012

20

Monomeric and dimeric structures, electronic properties and vibrational spectra of azelaic acid by HF and B3LYP methods

Amarendra Kumar, Vijay Narayan, Onkar Prasad, Leena Sinha

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 824 KB

english, 2012

21

XRD, XPS, optical, and Raman investigations of structural changes of nanoCo-doped ZnO

Z.K. Heiba, L. Arda

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 835 KB

english, 2012

22

The piroxicam complex of copper(II), trans-[Cu(Pir)2(THF)2], and its interaction with DNA

Hassan Hadadzadeh, Mona Salimi, Matthias Weil, Zahra Jannesari, Farivash Darabi, Khatereh Abdi, Aliakbar Dehno Khalaji, Soroush Sardari, Reza Ahangari

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.02 MB

english, 2012

23

Synthesis, molecular and crystal structure analysis of 2-bromo-4-chloro-6-{[4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazonomethyl}-phenol by experimental methods and theoretical calculations

Feyizan Güntepe, Hanife Saraçoğlu, Nezihe Çalışkan, Çiğdem Yüksektepe, Alaaddin Cukurovali

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.03 MB

english, 2012

24

Synthesis, spectroscopic, antimicrobial and DNA cleavage studies of new Co(II), Ni(II), Cu(II), Cd(II), Zn(II) and Hg(II) complexes with naphthofuran-2-carbohydrazide Schiff base

Madappa B. Halli, R.B. Sumathi

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 559 KB

english, 2012

25

Synthesis and structural characterization of some trisulfide analoges of thiouracil-based antithyroid drugs

Krishna P. Bhabak, Debasish Bhowmick

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1.42 MB

english, 2012

26

MOF with hydroxynaphthoquinone as organic linker: Molecular structure of [Zn(Chlorolawsone)2(H2O)2] and thermogravimetric studies

Sunita Salunke-Gawali, Laxmi Kathawate, Vedavati G. Puranik

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 968 KB

english, 2012

27

Novel quinonediimines derived from amino acid-like structures 2: Characterization and DFT computational study of N,N′-bis(4′-l-phenylalaninyl)-1,4-quinonediimine

Lawrence T. Sein Jr.

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 894 KB

english, 2012

28

X-ray, FT-IR, NMR and PM5 structural studies and antibacterial activity of unexpectedly stable salinomycin–benzotriazole intermediate ester

Adam Huczyński, Jan Janczak, Michał Antoszczak, Joanna Stefańska, Bogumil Brzezinski

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 1005 KB

english, 2012

29

Raman and infrared spectroscopic study of synthetic ungemachite, K3Na8Fe(SO4)6(NO3)2·6H2O

Paul Vargas Jentzsch, Valerian Ciobotă, Ralph Michael Bolanz, Bernd Kampe, Petra Rösch, Juraj Majzlan, Jürgen Popp

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 459 KB

english, 2012

30

Editorial board

Journal:

Journal of Molecular Structure

Year:

2012

Language:

english

File:

PDF, 29 KB

english, 2012