Volume 919; Issue 1-3

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Journal of Molecular Structure
Volume 919; Issue 1-3

Journal of Molecular Structure

Volume 919; Issue 1-3

1

Vibrational spectroscopic study on some Hofmann type clathrates: M(1-Phenylpiperazine)2Ni(CN)4·2G (M = Ni, Co and Cd; G = aniline)

Cemal Parlak, Özgür Alver, Mustafa Şenyel

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 428 KB

english, 2009

2

Molecular complex morpholine–CO2–H2O

Huiming Jiang, Shufen Zhang, Yingmei Xu

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 259 KB

english, 2009

3

Molecular mechanics description of the stabilized effects in (ethylenediamine-N,N′-diacetato)chromate(III) dinuclear complex bridged by pyrazole-3,5-dicarboxylate: DFT calculations of magnetic properties

Sonja Grubišić, Maja Gruden-Pavlović, Dušanka D. Radanović, Marko Perić, Svetozar R. Niketić

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 319 KB

english, 2009

4

Interaction of meso-tetrakis (p-sulfonatophenyl) porphyrin (TSPP) with pyrimidines: A steady state and time-resolved fluorescence quenching study

A. Kathiravan, V. Anbazhagan, M. Asha Jhonsi, R. Renganathan

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 407 KB

english, 2009

5

Experimental and theoretical study of a novel compound: Fluorocarbonylsulfenyl acetate, FC(O)SOC(O)CH3

Shengrui Tong, Maofa Ge, Weigang Wang, Carlos O. Della Védova

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 394 KB

english, 2009

6

Raman spectroscopic and DFT theoretical study of 4-(2-pyridylazo)resorcinol and its complexes with zinc(II) and copper(II)

Nicolae Leopold, László Szabó, Adrian Pîrnău, Mihaela Aluaş, Loredana F. Leopold, Vasile Chiş, Onuc Cozar

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 2.15 MB

english, 2009

7

Synthesis and characterization by FTIR spectroscopy of silica aerogels prepared using several Si(OR)4 and R′′Si(OR′)3 precursors

Rami Al-Oweini, Houssam El-Rassy

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 353 KB

english, 2009

8

Synthesis, experimental and theoretical investigations of some new 4,4′-bis(3-substituted-4,5-dihydro-1H-1,2,4-triazol-5-one-4-yl)diphenylmethane derivatives

Monika Pitucha, Piotr Borowski, Zbigniew Karczmarzyk, Andrzej Fruziński

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 278 KB

english, 2009

9

Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations

Andrea Gómez-Zavaglia, Agnieszka Kaczor, Daniela Coelho, M. Lurdes S. Cristiano, Rui Fausto

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 344 KB

english, 2009

10

New structural motifs and properties of squaric acid anions in the presence of the l-lysinium counterion

Tsonko Kolev, Heike Mayer-Figge, Rüdiger W. Seidel, William S. Sheldrick, Michael Spiteller, Bojidarka B. Koleva

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 581 KB

english, 2009

11

Hydrothermal synthesis, crystal structure, and luminescence of lanthanide(III) coordination polymers with tetrafluorosuccinate and 1,10-phenanthroline

Xia Li, Yan-Bin Zhang, Ying-Quan Zou

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 789 KB

english, 2009

12

Vibrational, structural and theoretical studies of potassium dl-phenylglycinate

Maria M. Ilczyszyn, Tadeusz Lis, Maria Wierzejewska, Małgorzata Zatajska

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.89 MB

english, 2009

13

Solvent-oriented 1H NMR chemical shifts of pyridinium iodide and application of Buckingham equation

N. Kausar Janjua, R. Qureshi, S. Ahmed, A. Yaseen Khan, M. Muhammad, M. Sadiq Subhani, R. Iqbal (late)

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 232 KB

english, 2009

14

12-Crown-4-based amphipathic lipid and corresponding metal cation complexes for gene therapy applications: FT-IR characterization and surface charge determination

P. Bruni, V. Fino, M. Pisani, G. Tosi, P. Stipa, P. Ferraris, O. Francescangeli

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 705 KB

english, 2009

15

Sulfur tetrafluoride methylimide, CH3NSF4: Vibrational spectra and quantum chemical calculations

Ana G. Iriarte, Edgardo H. Cutin, Rosa M.S. Álvarez, Rüdiger Mews, Heinz Oberhammer

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 270 KB

english, 2009

16

The adsorption behavior of two hydroxyl-terminated Schiff bases on the silver surface and the correlated study of SERS effect

Xiao-Qi Fu, Feng-Li Bei, Xiao-Dong Wu, Xu-Jie Yang, Xin Wang

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 629 KB

english, 2009

17

Synthesis, characterization and crystal structures of three new inorganic dinuclear diperoxo complexes of W(VI) and Mo(VI); Rb2{O[WO(O2)2H2O]2}·H2O, Rb2{O[MoO(O2)2H2O]2}·H2O and Cs2{O[MoO(O2)2]2}

M. Grzywa, W. Nitek, W. Łasocha

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 590 KB

english, 2009

18

4-Halo-1,3-oxazoles: Unambiguous structural assignment of 2-halo-2-benzoyl-2H-azirine-3-carboxylates thermal ring expansion products

Susy Lopes, Cláudio M. Nunes, Rui Fausto, Teresa M.V.D. Pinho e Melo

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 805 KB

english, 2009

19

Precise ground state molecular parameters of chloromethane

Lucie Nová Stříteská, Marie Šimečková, Patrik Kania, Peter Musil, Lucie Kolesniková, Jindřich Koubek, Štěpán Urban

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 359 KB

english, 2009

20

Hydrogen bonded helices: Synthesis, crystal structure and self-assembled microtubes

P. Mosae Selvakumar, E. Suresh, P.S. Subramanian

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.04 MB

english, 2009

21

Synthesis, reactivity investigation, and X-ray diffraction structures of new platinum(II) compounds containing redox-active diphosphine ligands

Sean W. Hunt, Xiaoping Wang, Michael G. Richmond

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 560 KB

english, 2009

22

Two new 1D structures of copper(II) or yttrium(III) phosphonatobenzenesulfonates using 1,10-phenanthroline as auxilary ligand

Zi-Yi Du, Jian-Jun Huang, Yong-Rong Xie, He-Rui Wen

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 751 KB

english, 2009

23

Synthesis and the optoelectronic properties of diarylethene derivatives having benzothiophene and n-alkyl thiophene units

Shouzhi Pu, Min Li, Congbin Fan, Gang Liu, Liang Shen

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.25 MB

english, 2009

24

Synthesis and crystal structures of two inorganic–organic hybrid vanadium selenites with layered structures: (DABCOH2)[(VO2)(SeO3)]2·1.25H2O and (pipeH2)[(VO)2(C2O4)(SeO3)2]

Zhaoxun Lian, Jiamin Zhang, Yongqing Gu, Tianxi Wang, Tianjun Lou

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 535 KB

english, 2009

25

Molecular structure and electrical properties of some phosphonates, phosphine-oxides and phosphates

O.V. Prezhdo, B. Gawdzik, V.V. Zubkova, V.V. Prezhdo

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 851 KB

english, 2009

26

A theoretical IR spectroscopic study based on DFT calculations for free mn-15S2O3 maleonitrile-dithiacrown ether compound

K. Balci, A. Koch, E. Kleinpeter

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 807 KB

english, 2009

27

Infrared and Raman studies of manganese dihydrogen phosphate dihydrate, Mn(H2PO4)2·2H2O. Part II: Region of the internal OH group vibrations

V. Koleva, V. Stefov, A. Cahil, M. Najdoski, B. Šoptrajanov, B. Engelen, H.D. Lutz

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 618 KB

english, 2009

28

Syntheses, crystal structures, energy bands, and optical characterizations of Na5Ln(MoO4)4 (Ln = Gd, Er)

D. Zhao, W.-D. Cheng, H. Zhang, S.-P. Huang, M. Fang, W.-L. Zhang, S.-L. Yang

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.10 MB

english, 2009

29

A copper/p-sulfonatocalix[6]arene/phenanthroline supramolecular compound with 1D [Cu2-calixarene]n coordination chains

Yabing Liu, Yanfeng Bi, Wenwei He, Xiaofei Wang, Wuping Liao, Hongjie Zhang

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.27 MB

english, 2009

30

Structure, antibacterial activity and theoretical study of 2-hydroxy-1-naphthaldehyde-N-methylethanesulfonylhydrazone

Neslihan Özbek, Gülten Kavak, Yusuf Özcan, Semra İde, Nurcan Karacan

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 456 KB

english, 2009

31

A 3D architecture constructed by saturated Dawson polyoxoanions and transition-metal coordination complexes [CuI7(Bpy)6(BpyEt)2]

Xinyu Zhao, Shuxia Liu, Yuanhang Ren, Chaoying Gao, Ruige Cao, Chaojie Yu

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 424 KB

english, 2009

32

Syntheses, crystal structures and characterizations of three new copper(II) azide coordination polymers with 1,2,4-triazole ligands

Jing-Jing Liu, Xiang He, Min Shao, Ming-Xing Li

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.01 MB

english, 2009

33

Vibrational spectra and antimicrobial activity of selected bivalent cation benzoates

M.H. Borawska, P. Koczoń, J. Piekut, R. Świsłocka, W. Lewandowski

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 218 KB

english, 2009

34

Syntheses, crystal structures and electrochemical properties of Zn(II), Ag(I) and Cu(II) complexes based on 2-[(4,6-dimethylpyrimidinyl)-2-thio] acetic acid

Degang Ding, Lixia Xie, Yaoting Fan, Yuling Wang, Hongwei Hou

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 536 KB

english, 2009

35

Geometry and absorption of diketo-pyrrolo-pyrrole isomers and their π-isoelectronic furo-furanone analogues

Stanislav Luňák Jr., Jan Vyňuchal, Radim Hrdina

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 446 KB

english, 2009

36

Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopy

Audrey A. Eigner, John P. Wrass, Elizabeth L. Smith, Christopher C. Knutson, James A. Phillips

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 439 KB

english, 2009

37

Study on THz spectrum of artemeter

Binquan Zhou, Jiancheng Fang, Fengping Wu, Haifeng Dong

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 393 KB

english, 2009

38

A novel method to estimate the affinity of HLA-A∗0201 restricted CTL epitope

Yun-sheng Xu, Yong Lin, Bo Zhu, Zhi-hua Lin

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 226 KB

english, 2009

39

Spectroscopic investigations on the mechanism of interaction of crystal violet with bovine serum albumin

Hui Xu, Shu-Li Gao, Ju-Bo Lv, Quan-Wen Liu, Ying Zuo, Xin Wang

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 302 KB

english, 2009

40

Effects of the phenolic lipid 3-pentadecylphenol on phospholipid bilayer organization

Katarzyna Cieślik-Boczula, Seta Küpcü, Dominik Rünzler, Aleksander Koll, Gottfried Köhler

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 537 KB

english, 2009

41

A novel centrosymmetric dinuclear cadmium(II) Schiff base complex with unusual bridging carboxylate: Synthesis, crystal structure and luminescence properties

Shyamapada Shit, Joy Chakraborty, Brajagopal Samanta, Guillaume Pilet, Samiran Mitra

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 270 KB

english, 2009

42

Crystal structure and magnetic properties of a copper(II)–octacyanotungstate(V) bimetallic complex coordinated with macrocyclic ligand

Ai-Hua Yuan, Wen-Yan Liu, Hu. Zhou, Ying-Ying Chen, Xiao-Ping Shen

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 657 KB

english, 2009

43

A novel supramolecular compound of cadmium(II): Synthesis, characterization, crystal structure, ab initio HF, DFT calculations and solution study

Hossein Aghabozorg, Faranak Manteghi, Mohammad Ghadermazi, Masoud Mirzaei, Ali R. Salimi, Ardeshir Shokrollahi, Somayyeh Derki, Hossein Eshtiagh-Hosseini

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 506 KB

english, 2009

44

Editorial board

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 34 KB

english, 2009

45

Compared properties of textures of lyotropic mesophases of binary and ternary systems based on tetradecyltrimethyl ammonium bromide

Özgür Masalci, Nadide Kazanci

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 686 KB

english, 2009

46

Effect of N-methylation on both ground and excited states properties of 1-(9-anthryl)-2-(2-benzothiazolyl) ethene

Safaa El-Din H. Etaiw, Mohamed K. Awad, Tarek A. Fayed, Morad M. El-Hendawy

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.00 MB

english, 2009

47

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)

Mehmet Karabacak, Mehmet Çınar, Ali Çoruh, Mustafa Kurt

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 482 KB

english, 2009

48

Hydrogen bonding and solution state structure of salicylaldehyde-4-phenylthiosemicarbazone: A combined experimental and theoretical study

Predrag Novak, Katarina Pičuljan, Tomica Hrenar, Tomislav Biljan, Zlatko Meić

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 452 KB

english, 2009

49

Hydrogen bonding. Part 87: DFT MO study of hydration of tetramethyl- and tetraethylammonium ions – Correlation of hydrate symmetry with 14N to CH NMR coupling

Kenneth M. Harmon

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 357 KB

english, 2009

50

Experimental and theoretical study of the conformational, vibrational and magnetic properties of 4,6-di-O-acetyl-2,3-dideoxy-d-threo-hex-2-enopyranosyl ethanesulfonamide

M. Luján Alegre, Reinaldo Pis Diez, Pedro A. Colinas

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 313 KB

english, 2009

51

Spectroscopic studies on the interaction between phycocyanin and bovine serum albumin

A. Kathiravan, M. Chandramohan, R. Renganathan, S. Sekar

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 267 KB

english, 2009

52

Theoretical study on the electronic structures and optical properties of blue phosphorescent iridium(III) complexes

Min Zhang, Ze-Sheng Li, Jia-Zhong Sun

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 315 KB

english, 2009

53

Synthesis, spectroscopic studies and crystal structure of (E)-2-(2,4-dihydroxybenzylidene)thiosemicarbazone and (E)-2-[(1H-indol-3-yl)methylene]thiosemicarbazone

Mustafa Yıldız, Hüseyin Ünver, Diğdem Erdener, Aşkın Kiraz, Nazan Ocak İskeleli

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 667 KB

english, 2009

54

Hydrothermal synthesis, crystal structure and photoluminescence of two 1D Zn(II) coordination polymers

Yan Huang, Bing Yan, Min Shao

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 378 KB

english, 2009

55

The spectroscopic (FT-IR and FT-Raman) and theoretical studies of 5-bromo-salicylic acid

Mehmet Karabacak, Mustafa Kurt

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 414 KB

english, 2009

56

Pseudohalide copper(II) complexes derived from polypyridyl ligands: Synthesis and characterization

Franz A. Mautner, Febee R. Louka, Thibaut LeGuet, Salah S. Massoud

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 378 KB

english, 2009

57

Theoretical investigations of the γ-gauche effect on the 13C chemical shifts produced by oxygen atoms at the γ position by quantum chemistry calculations

Shinji Suzuki, Fumitaka Horii, Hiromichi Kurosu

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 347 KB

english, 2009

58

Crystal structure and vibrational spectra of 2-chloromethyl-5-hydroxy-4H-pyran-4-one and 5-hydroxy-2-methyl-4H-pyran-4-one as potential ligands for Fe(III) complexes

Katarzyna Hryniewicz, Katarzyna Stadnicka, Agnieszka Pattek-Janczyk

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 998 KB

english, 2009

59

IR spectroscopy and DFT study of phosphorus-containing G2 generation dendrimer

V.L. Furer, A.E. Vandyukov, J.P. Majoral, A.M. Caminade, V.I. Kovalenko

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 346 KB

english, 2009

60

NMR studies on interaction of rhodium(II) tetratrifluoroacetate with the ligands containing nitrile, isonitrile, isothiocyanate or isocyanate functional groups

Piotr Cmoch, Jarosław Jaźwiński

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 495 KB

english, 2009

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