Volume 975; Issue 1-3

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Journal of Molecular Structure
Volume 975; Issue 1-3

Journal of Molecular Structure

Volume 975; Issue 1-3

1

Stabilizing effects of large counter ion: Synthesis, characterization and single crystal X-ray structure determination of [Co(NH3)6][HgI4]I·H2O

Raj Pal Sharma, Ajnesh Singh, Paloth Venugopalan, Anton I. Smolentsev, Alexander I. Gubanov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 588 KB

english, 2010

2

Microwave, infrared, and Raman spectra, r0 structural parameters, conformational stability, and vibrational assignment of ethynylcyclohexane

James R. Durig, Rachel M. Ward, Andrew R. Conrad, Michael J. Tubergen, Keegan G. Nelson, Todor K. Gounev

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 616 KB

english, 2010

3

Syntheses, structures and luminescent properties of silver(I) coordination polymers based on aminopyrimidyl derivatives and 1,2,3,4-butanetetracarboxylic acid

Di Sun, Na Zhang, Qin-Juan Xu, Rong-Bin Huang, Lan-Sun Zheng

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 886 KB

english, 2010

4

Analysis of the vibrational spectrum of dihydrazinium 5,5′-azotetrazolate dihydrate by electronic structure calculations

Jennifer A. Ciezak, S.F. Trevino

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 779 KB

english, 2010

5

Self-assembly of three Cd(II) complexes: From 0-D to 1-D and 2-D structures based on 1-((benzotriazol-1-yl)methyl)-1-H-1,3-imidazole ligand and different anions

Likun Duan, Yanan Ding, Xiangru Meng, Weiqiang Li, Hongwei Hou, Yaoting Fan

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 874 KB

english, 2010

6

Calix[4]arene based chemosensor for selective complexation of Cd(II) and Cu(II)

Mansoor Ahmed Qazi, Imdadullah Qureshi, Shahabuddin Memon

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 880 KB

english, 2010

7

13C CPMAS NMR, XRD and DFT study of selected 2,6-diketopiperazines

Michal Tkaczyk, Maciej Dawidowski, Franciszek Herold, Irena Wolska, Iwona Wawer

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 828 KB

english, 2010

8

Vibrational spectroscopic investigation and conformational analysis of 1-cyclohexylpiperazine

Özgür Alver, Cemal Parlak

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 689 KB

english, 2010

9

Properties of novel yellow anthraquinone dichroic dyes with naphthylthio groups for guest–host liquid crystal displays

Hiroki Iwanaga, Katsuyuki Naito, Fumihiko Aiga

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 559 KB

english, 2010

10

Encapsulation of serotonin in β-cyclodextrin nano-cavities: Fluorescence spectroscopic and molecular modeling studies

Sudip Chaudhuri, Sandipan Chakraborty, Pradeep K. Sengupta

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 627 KB

english, 2010

11

Experimental and theoretical studies on synthesis and structure elucidation of some polychlorinated biphenyl derivatives

Vadim P. Boyarskiy, Irina А. Boyarskaya, Elisaveta A. Savicheva, Maria Gdaniec, Marina S. Fonari, Yurii A. Simonov

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 559 KB

english, 2010

12

Assembly of cyclic multi-nuclear Cu(I) cluster induced by Keggin-type arsenotungstate

Jingquan Sha, Yu Zhang, Shuxian Li, Lixin Liu, Liye Liang, Hong Yan, Honglian Zhang

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 726 KB

english, 2010

13

Synthesis, crystal structure and photoluminescent property of a novel indium (III) supramolecular 3D framework

Liping Wang, Tianbin Zhang, Liangliang Huang, Jianing Xu, Gang Wang, Hua Zhang, Li Wang

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 798 KB

english, 2010

14

Molecular modeling of complexes between two amino acids and copper(II): Correlation with Ligand Exchange Capillary Electrophoresis

Nadine Mofaddel, Abderrahim Aït Adoubel, Christophe J. Morin, Paul-Louis Desbène, Georges Dupas

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 730 KB

english, 2010

15

Vibrational properties, crystal X-ray diffraction structure and quantum chemical calculations on a divalent sulfur substituted phthalimide: 1H-Isoindole-1,3(2H)-dione, 2-[(methoxycarbonyl)thio]

Sonia Torrico-Vallejos, Mauricio F. Erben, Oscar E. Piro, Eduardo E. Castellano, Carlos O. Della Védova

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 496 KB

english, 2010

16

Cobalt coordination polymers of flexible bis(pyridine)-type ligands containing an intervening cyclohexyl group: [Co(L1)1.5(NO3)2], [Co(L2)1.5(NO3)2], [Co(L1′H2)2(NO3)](NO3)5(CH3OH), and [Co(L2′H2)(NO3)2(OCH3)2] {(n-py)CHNC6H10NCH(n-py) [n = 3 (L1) or 4 (L2)]; (m-py)CH2NHC6H10NHCH2(m-py) [m = 3 (L1′) or 4 (L2′)]}

Kyung-Eun Lee, Soon W. Lee

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 2.09 MB

english, 2010

17

Complex of nicosulfuron with human serum albumin: A biophysical study

Fei Ding, Wei Liu, Nan Li, Li Zhang, Ying Sun

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 740 KB

english, 2010

18

Effect of ligand substitution on DNA binding ability of two new square planar copper(II)–Schiff base complexes

Dipali Sadhukhan, Aurkie Ray, Saurabh Das, Corrado Rizzoli, Georgina M. Rosair, Samiran Mitra

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.13 MB

english, 2010

19

Synthesis and characterisation a series of N-(3,4-dichlorophenyl)-N′-(2,3 and 4-methylbenzoyl)thiourea derivatives

M. Sukeri M. Yusof, Rabia’tun Hidayah Jusoh, Wan M. Khairul, Bohari M. Yamin

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 410 KB

english, 2010

20

Sparfloxacin–metal complexes as antifungal agents – Their synthesis, characterization and antimicrobial activities

Najma Sultana, M. Saeed Arayne, Somia Gul, Sana Shamim

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 478 KB

english, 2010

21

DNA interaction with flavone and hydroxyflavones

Joana Vitorino, M.J. Sottomayor

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 515 KB

english, 2010

22

A natural diterpenoid kamebacetal A with anti-tumor activity: Theoretical and experimental study

Tao Wang, Fu-ming Tang, Yi-Heng Zhang, Zhong Chen

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 507 KB

english, 2010

23

Absolute configuration and crystal packing chirality for three conglomerate-forming ortho-halogen substituted phenyl glycerol ethers

Alexander A. Bredikhin, Aidar T. Gubaidullin, Zemfira A. Bredikhina

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

24

Synthetic, spectral and structural study of mono bis(pyridine)dichloro bis(dimethyl sulfoxide-S) ruthenium(II) complex, [RuCl2(py)2(dmso-S)2] and its reactivity with nitrogen donor bases in polar and non-polar solvent

Manoj Trivedi, Yogesh K. Sharma, R. Nagarajan, Nigam P. Rath

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 853 KB

english, 2010

25

Amide-I and amide-A bands of δ-valerolactam and its dimers: A combined matrix isolation – FTIR spectroscopy and quantum chemistry study

Prasenjit Pandey, Amit K. Samanta, Biman Bandyopadhyay, Tapas Chakraborty

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 652 KB

english, 2010

26

Hydrogen bonding and molecular association in 2-(quinuclidinium)-butyric acid bromide hydrate studied by X-ray diffraction, DFT calculations, FTIR and NMR spectroscopy, and potentiometric titration

Z. Dega-Szafran, A. Katrusiak, M. Szafran, P. Barczyński

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 720 KB

english, 2010

27

X-ray structure, NMR and stability-in-solution study of 6-(furfurylamino)-9-(tetrahydropyran-2-yl)purine – A new active compound for cosmetology

Jan Walla, Lucie Szüčová, Ivana Císařová, Tomáš Gucký, Marek Zatloukal, Karel Doležal, Jarmila Greplová, Frank J. Massino, Miroslav Strnad

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 396 KB

english, 2010

28

Synthesis, characterization, structural, spectrophotometric and antimicrobial activity of charge transfer complex of p-phenylenediamine with 3,5-dinitrosalicylic acid

Ishaat M. Khan, Afaq Ahmad

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 703 KB

english, 2010

29

Radiation damage produced in single crystal of iminodiacetic acid hydrobromide

Murat Aydin, Şemsettin Osmanoğlu, M. Halim Başkan, I. Yeşim Dicle

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 351 KB

english, 2010

30

Hydrothermal synthesis, crystal structures and TGA of two metal–organic frameworks from 2′-(1H-tetrazol-5-yl)-[1,1′-biphenyl]-4-carboxylic acid

Yao Huang, Li-Zhuang Chen, Ren-Gen Xiong, Xiao-Zeng You

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.99 MB

english, 2010

31

A nimesulide derivative with potential anti-inflammatory activity: Synthesis, X-ray powder structure analysis and DFT study

Abir Bhattacharya, Kavitha Kankanala, Sarbani Pal, Alok K. Mukherjee

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 911 KB

english, 2010

32

ZrO2–SnO2 nanocomposite film containing superlattice ribbons

Hongjun Ji, Xiaoheng Liu, Xin Wang

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

33

Spectroscopic study of surface enhanced Raman scattering of caffeine on borohydride-reduced silver colloids

Xiaomin Chen, Huaimin Gu, Gaoshan Shen, Xiao Dong, Jian Kang

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 466 KB

english, 2010

34

EPR, optical, photoluminescence studies of Cr3+ ions in Li2O–Cs2O–B2O3 glasses – An evidence of mixed alkali effect

C.R. Kesavulu, R.P.S. Chakradhar, C.K. Jayasankar, J. Lakshmana rao

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 643 KB

english, 2010

35

CuII, CoII, and NiII complexes with R-isophthalate (R = –CH3 or –OCH3) and a bent dipyridyl 2,5-bis(3-pyridyl)-1,3,4-oxadiazole: Structural diversification induced by metal ion and substituent of ligand

Jian-Hua Guo, Jing Chen, Cheng-Peng Li, Miao Du

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.82 MB

english, 2010

36

Hydrogen-bonding network in the crystal of 1-(diaminomethylene)thiouron-1-ium picrate

Jan Janczak, Genivaldo Julio Perpétuo

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 595 KB

english, 2010

37

A 2D hydrogen-bonded network constructed from large organic dications

Rodney J. Holmes, Brendan F. Abrahams, Vincent Murray, William A. Denny, W. David McFadyen

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 606 KB

english, 2010

38

Vibrational spectra of liquid di-n-propylether

A.S. Muszyński, K.B. Beć, W. Wrzeszcz, N. Michniewicz, A. Mojak, J.P. Hawranek

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 793 KB

english, 2010

39

The (2:1) complex of picric acid with tetramethylpyrazine: The structure, IR spectra and tunnel splitting of methyl groups

W. Sawka-Dobrowolska, G. Bator, L. Sobczyk, E. Grech, J. Nowicka-Scheibe, A. Pawlukojć, J. Wuttke

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 678 KB

english, 2010

40

Stability of Pin1 as revealed by thermal and spectroscopic studies

Jing-Zhang Wang, Tao Lin, Guo-Fei Zhu, Lin-Fang Du

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 826 KB

english, 2010

41

Influence of pH on the cis–trans isomerization of Valine-Proline dipeptide: An integrated NMR and theoretical investigation

Galya Ivanova, Boryana Yakimova, Silvia Angelova, Ivanka Stoineva, Venelin Enchev

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 809 KB

english, 2010

42

Synthesis, crystal structure and characterization of a Cd(II) complex of flexible symmetric ligands benzene-1,4-dioxydiacetic acid

Yan Yang, Ming-Xiong Tan, Xiao Li, Xian-Ming Chen, Guang-Quan Chen, Rong-Huan Qin, Wen-Gui Duan

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 633 KB

english, 2010

43

Structural characterization and Kovats retention index prediction for oxygen-containing organic compounds

Limin Liao, Donghong Qing, Jianfeng Li, Guangdong Lei

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 395 KB

english, 2010

44

Editorial board

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 26 KB

english, 2010

45

Configuration of stilbene derivatives by 1H NMR and theoretical calculation of chemical shifts

Rodrigo Rotta, Álvaro Cunha Neto, Dênis Pires de Lima, Adilson Beatriz, Gil Valdo José da Silva

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 282 KB

english, 2010

46

Conformational study of arbutin by quantum chemical calculations and multivariate analysis

Cuauhtémoc Araujo-Andrade, Susy Lopes, Rui Fausto, Andrea Gómez-Zavaglia

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

47

Hydrogen and halogen bonding patterns and π–π aromatic interactions of some 6,7-disubstituted 1,3-benzothiazoles studied by X-ray diffraction and DFT calculations

Helena Čičak, Marijana Đaković, Zlatko Mihalić, Gordana Pavlović, Livio Racané, Vesna Tralić-Kulenović

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

48

Hydrogen bonded supramolecular architectures of organic salts based on 5,7-dimethyl-1,8-naphthyridine-2-amine and acidic compounds

Shouwen Jin, Wenbiao Zhang, Li Liu, Hongfang Gao, Daqi Wang, Rongpo Chen, Xiaolei Xu

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

49

Synthesis and structural study of 3t-isopropyl-2r,6c-diphenyl-4-oxopiperidinium nitrate and N-benzoyl-3t-isopropyl-2r,6c-diphenylpiperidin-4-one oxime

V. Vimalraj, K. Pandiarajan, Imtiyaz Ahmad Bhat

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1018 KB

english, 2010

50

New Cd(II), Zn(II) helical coordination polymers constructed from hybrid ligands 4-ferrocenylbutyrate and 1,1-(1,4-butanediyl)bis-1H-benzimidazole

Shuangliang Liu, Yu Yang, Yongfang Qi, Xiangru Meng, Hongwei Hou

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 851 KB

english, 2010

51

Three novel supramolecular barium complexes with heterocyclic sulfonate ligands: Effect of ligand structure and auxiliary anions

Hua-Ze Dong, Jian-Hong Bi, Hai-Bin Zhu, Shao-Hua Gou

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.73 MB

english, 2010

52

Infrared laser absorption spectroscopy of the 2ν10b band of chlorobenzene

Silvia Calvo, Fernando Castaño, Francisco J. Basterretxea

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 434 KB

english, 2010

53

Synthesis, spectroscopic properties, crystal structure and density functional studies of Cu(II) complex with 2-((dehydroabietylamine)methyl)-6-methoxyphenol

Bao-Yu Liu, Zheng Liu, Guo-Cheng Han, Yan-Hong Li

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 755 KB

english, 2010

54

Microscopic origin of secondary modes observed in decahydroisoquinoline

P. Wlodarczyk, B. Czarnota, M. Paluch, S. Pawlus, J. Ziolo

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 529 KB

english, 2010

55

Molecular structure and vibrational and chemical shift assignments of 3,5-bis-(4-methylbenzoyl)-2,6-bis(4-methylphenyl)-4H-pyran-4-one: A combined experimental and theoretical analysis

D. Avcı, H. Cömert, E. Tarcan, M. Dinçer, Y. Atalay

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 590 KB

english, 2010

56

NMR and X-ray studies of isomeric 22,23-dihydroxy stigmastanes

Vladimir A. Khripach, Vladimir N. Zhabinskii, Galina V. Ivanova, Galina P. Fando, Dmitrii V. Tsavlovskii, Natalya B. Khripach, Alexander S. Lyakhov, Alexander Yu. Misharin

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 671 KB

english, 2010

57

Directionality and site selectivity of N⋯Cl halogen bonding in two azaaromatic chloride crystals

Yi-Min Zhu, Ti-Fang Miao, Yang-Yi Yang, Dong-Yue Zhuang, Kang-Cheng Zheng, Wing-Tak Wong

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

58

Cyclocreatine, an anticancer and neuroprotective agent. Spectroscopic, structural and theoretical study

Reinaldo Pis-Diez, Beatriz S. Parajón-Costa, Carlos A. Franca, Oscar E. Piro, Eduardo E. Castellano, Ana C. González-Baró

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 649 KB

english, 2010

59

Theoretical and spectroscopic studies of 1-butyl-3-methylimidazolium iodide room temperature ionic liquid: Its differences with chloride and bromide derivatives

Madhulata Shukla, Nitin Srivastava, Satyen Saha

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 927 KB

english, 2010

60

A hexadentate Schiff base ligand which undergoes reversible, diastereoselective addition of methanol

Edwin C. Constable, Guoqi Zhang, Catherine E. Housecroft, Markus Neuburger

Journal:

Journal of Molecular Structure

Year:

2010

Language:

english

File:

PDF, 486 KB

english, 2010

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