Volume 1056-1057

Journal of Molecular Structure

Volume 1056-1057

1

Spectroscopic (FT-IR, FT-Raman and NMR) and computational studies on 3-methoxyaniline

Sivaranjini, T., Periandy, S., Govindarajan, M., Karabacak, M., Asiri, A.M.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

2

A theoretical study of the structure and protonation of Palbociclib (PD 0332991)

Alkorta, Ibon, Elguero, José

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1015 KB

english, 2014

3

Synthesis, structure and properties of hybrid supramolecular compounds based on macrocyclic H-bonding assemblies

Peng, Yan-Hong, Sun, Shao-Fa, Yang, Xu-Hong, Gao, Tao, Li, Yan, Wang, Jian

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

4

Structure and luminescent property of a zinc(II) complex assembled from 5-methylisophthalic acid and 1,2-bis-(4-pyridyl) ethane

Xu, Bo, Ji, Xiaoxiao, Cai, Yong, Li, Ling, Liu, Guangning, Li, Cuncheng

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 955 KB

english, 2014

5

Spectroscopic and structural investigations of 4-bromomethyl-5-methyl-1,3-dioxol-2-one and 4,5-bis(bromomethyl)-1,3-dioxol-2-one by quantum chemical simulations – A comparative study

Carthigayan, K., Arjunan, V., Anitha, R., Periandy, S., Mohan, S.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.01 MB

english, 2014

6

Design and synthesis of new family of ionic liquids based on 2-iminium-1,3-dithiolanes: A combined theoretical and experimental effort

Ziyaei Halimehjani, Azim, Shakourian-Fard, Mehdi, Farvardin, Marziye Vahdati, Raeesi, Mozhgan, Hashemi, Mohammed Mahmoodi, Behzadi, Hadi

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1016 KB

english, 2014

7

A new hybrid constructed from Dawson-like polyoxometalates and dicopper coordination compounds containing a discrete tridecameric water cluster

Yang, Hongxun, Cao, Minna, Gao, Shuiying, Cao, Rong

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

8

Syntheses, spectral and structural characterization of Ni(II) complexes of 4-amino-5-phenyl/3-pyridyl/thiophen-2H-1,2,4-triazole-3-thione

Bharty, M.K., Bharati, Pooja, Bharti, A., Singh, A., Singh, Sanjay, Singh, N.K.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

9

Synthesis, spectroscopic characterization and antibacterial studies of lanthanide(III) Schiff base complexes containing N, O donor atoms

Lekha, L., Raja, K. Kanmani, Rajagopal, G., Easwaramoorthy, D.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 936 KB

english, 2014

10

Conformation of the umifenovir cation in the molecular and crystal structures of four carboxylic acid salts

Orola, Liana, Sarcevica, Inese, Kons, Artis, Actins, Andris, Veidis, Mikelis V.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

11

The bioactivity studies of drug-loaded mesoporous silica-polydimethylsiloxane xerogels using FTIR and SEM/XEDS

Prokopowicz, Magdalena, Szewczyk, Adrian, Sawicki, Wiesław

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

12

Synthesis, characterization and molecular structures of homologated analogs of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone

Salunke-Gawali, Sunita, Pawar, Omkar, Nikalje, Milind, Patil, Rishikesh, Weyhermüller, Thomas, Puranik, Vedavati G., Badireenath Konkimalla, V.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.34 MB

english, 2014

13

Temperature-enhanced synthesis of DMSO-Melanin

Piacenti-Silva, M., Bronze-Uhle, E.S., Paulin, J.V., Graeff, C.F.O.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

14

Crystal structures and isometricity comparison of methylated bisphenol F derivatives

Gruber, Tobias, Nestler, Robert, Seichter, Wilhelm, Bombicz, Petra

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.11 MB

english, 2014

15

Copper ions influence on lead–phosphate glass network

Magdas, D.A., Stefan, R., Toloman, D., Vedeanu, N.S.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.05 MB

english, 2014

16

Synthesis and characterization of carbon nanotubes/titanium molybdate nanocomposite and assessment of its photocatalytic activity

Singh, Sneha, Singh, Braj Raj, Khan, Wasi, Naqvi, Alim H.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

17

Characteristic solid-state color properties and crystal structures of 2-methyl-3-chlorophenylthio-1,4-naphthalenedione

Yotsumoto, Eiki, Inoue, Takafumi, Wakabayashi, Takashi, Amako, Tomoyuki, Tajima, Nobuo, Kuroda, Reiko, Imai, Yoshitane

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

18

Optical and structural properties of WO3-doped silicophosphate glasses for gamma-ray applications

Marzouk, M.A., Hamdy, Y.M., ElBatal, H.A.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

19

Synthesis, spectral, crystal and theoretical studies of some novel 4-heterocyclic substituted pyrazolones

Narayanan, Kuppusamy, Shanmugam, Mani, Vasuki, Gnanasambandam, Kabilan, Senthamaraikannan

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.54 MB

english, 2014

20

Comment on “Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations” [J. Mol. Struct. 1052 (2013) 38–49]

Erben, Mauricio F.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 364 KB

english, 2014

21

New phenothiazine–laponite hybrid systems: Adsorption and ionization

Shaydyuk, Y., Turrell, S., Moissette, A., Hureau, M., Gomza, Y., Klepko, V., Lebovka, N.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 980 KB

english, 2014

22

Delocalized electrons in infrared intensities

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 3.08 MB

english, 2014

23

Enhanced processability of MWCNT through surface treatment by octa(phenol) polyhedral oligomeric silsesquioxane nano-crosslinking

Omrani, Abdollah, Yen, Ying-Chieh, Cheng, Chih-Chia, Chang, Feng-Chih

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.47 MB

english, 2014

24

Crystal structures of resorcin[4]arene and pyrogallol[4]arene complexes with DL-pipecolinic acid. Model compounds for the recognition of the pipecolinyl ring, a key fragment of FK506, through C–H⋯π interaction

Fujisawa, Ikuhide, Kitamura, Yuji, Kato, Ryo, Murayama, Kazutaka, Aoki, Katsuyuki

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

25

1H and 13C MAS NMR analysis for the role of chemically inequivalent a-N(CH3)4 and b-N(CH3)4 ions in [N(CH3)4]2CuCl4

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 958 KB

english, 2014

26

The effects of microstructural changes on montmorillonite–microbial interactions

Spence, Adrian, Robinson, Claion, Hanson, Richard E.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.52 MB

english, 2014

27

Multinuclear magnetic resonance and X-ray characterization of platinum(II) complexes with substituted-1,2,4-triazolo[1,5-a]pyrimidines

Łakomska, Iwona, Hoffmann, Kamil, Muzioł, Tadeusz, Sitkowski, Jerzy

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 885 KB

english, 2014

28

Synthesis, spectroscopic characterization and X-ray structure of novel 7-methoxy-4-oxo-N-phenyl-4H-chromene-2-carboxamides

Reis, Joana, Gaspar, Alexandra, Borges, Fernanda, Rebelo Gomes, Ligia, Low, John Nicolson

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

29

Gas-phase cleavage of the novel iminium ions [R1CH+NCHR2↔R1CHN+CHR2]: An experimental and computational study

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.11 MB

english, 2014

30

The 1-acetyl-3-methyl-4-[3-methoxy-4-(4-methylbenzoxy)benzylidenamino]-4,5-dihydro-1H-1,2,4-triazol-5-one molecule investigated by a joint spectroscopic and quantum chemical calculations

Gökce, Halil, Akyildirim, Onur, Bahçeli, Semiha, Yüksek, Haydar, Kol, Özlem Gürsoy

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

31

4-Hydroxy-3-(naphthalen-1-ylmethyl)thiophen-2(5H)-one as inhibitors of tyrosyl-tRNA synthase: Synthesis, molecular docking and antibacterial evaluation

Sun, Juan, Liu, Jia-Jia, Zhou, Wei, Guo, Feng-Jiao, Wang, Xin-Yi, Zhu, Hai-Liang

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

32

Computational study on the conformations of CD38 and inclusion complexes of some lower-size large-ring cyclodextrins

Ivanov, Petko, Atanassov, Emanouil, Jaime, Carlos

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 3.15 MB

english, 2014

33

“Push–pull” 1,8-naphthalic anhydride with multiple triphenylamine groups as electron donor

Wang, Limin, Shi, Yan, Zhao, Yingyuan, Liu, Heyuan, Li, Xiyou, Bai, Ming

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.52 MB

english, 2014

34

Cloud point, fluorimetric and 1H NMR studies of ibuprofen-polymer systems

Khan, Iqrar Ahmad, Anjum, Kahkashan, Koya, P. Ajmal, Qadeer, Atiytul, Kabir-ud-Din,

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

35

A vibrational spectroscopic study of the arsenate mineral bayldonite (Cu,Zn)3Pb(AsO3OH)2(OH)2 – A comparison with other basic arsenates

Frost, Ray L., López, Andrés, de Oliveira Gonçalves, Guilherme, Scholz, Ricardo, Xi, Yunfei

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

36

Using infrared spectroscopy of a nitrile labeled phenylalanine and tryptophan fluorescence to probe the α-MSH peptide’s side-chain interactions with a micelle model membrane

Gonzalez, Javier D., Levonyak, Nicholas S., Schneider, Sydney C., Smith, Matthew J., Cremeens, Matthew E.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.20 MB

english, 2014

37

Syntheses, characterization, and SOD activity studies of barbital-based nickel(II) complexes with different chelating amines: The X-ray crystal structures of Barb-H and [Ni(Barb)2(en)2] (Barb=5,5-diethylbarbiturate)

Ibrahim, Mohamed M., Mersal, Gaber A.M., Al-Juaid, Salih, El-Shazly, Samir A.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.81 MB

english, 2014

38

1,3-Dimethyl-5-(3,4,5-tris(alkoxy)benzoyl) barbituric acid derivatives and their liquid crystalline difluoroboron complexes: Synthesis, characterization and comparative investigations of mesomorphic, thermotropic and thermo-morphologic properties

Giziroglu, Emrah, Nesrullajev, Arif, Orhan, Nil

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.37 MB

english, 2014

39

Study the chemical composition and biological outcomes resulting from the interaction of the hormone adrenaline with heavy elements: Infrared, Raman, electronic, 1H NMR, XRD and SEM studies

Ibrahim, Omar B., Mohamed, Mahmoud A., Refat, Moamen S.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 3.22 MB

english, 2014

40

Synthesis, crystal structure and optical properties of Ba5V3O12F

Kang, Jing, Yang, Yun, Pan, Shilie, Yu, Hongwei, Zhou, Zhongxiang

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

41

Two new three-dimensional zinc phosphites templated by piperazine: [H2pip][Zn3(HPO3)4(H2O)2] and K[H2pip]0.5[Zn3(HPO3)4]

Zhang, Xiao, Wang, Guo-Ming, Wang, Zong-Hua, Wang, Ying-Xia, Lin, Jian-Hua

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.60 MB

english, 2014

42

Synthesis and characterization of two unsquare 4-connected 2D coordination polymers with helical character

Duan, Xian-Ying, Zhao, Jun-Hong, Wei, Mei-Lin

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.10 MB

english, 2014

43

Dielectric properties and relaxation mechanism of organic trans-stilbene and p-terphenyl molecular crystals using impedance spectroscopy

Selvakumar, S., Murugaraj, R., Viswanathan, E., Sankar, S., Sivaji, K.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 989 KB

english, 2014

44

Synthesis and characterization of nano-crystalline Zn-substituted Mg–Ni–Fe–Cr ferrites via surfactant-assisted route

Bayoumy, W.A.A.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.08 MB

english, 2014

45

EPR investigation on synthesis of Lithium zinc vanadate using sol–gel-combustion route and its optical properties

Pathak, Nimai, Gupta, Santosh K., Prince, Angelina, Kadam, R.M., Natarajan, V.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

46

Editorial board

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 27 KB

english, 2014

47

Four M(II)-coordination polymers (M=Zn(II) and Cd(II)) based on a flexible 1,2-bis(pyridin-3-yloxy)ethane ligand: Syntheses, structures and photoluminescent properties

Ge, Jing-Yuan, Cheng, Jun-Yan, Wang, Peng, Liu, Qi-Kui, Dong, Yu-Bin

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.83 MB

english, 2014

48

A new Schiff base, (E)-4-((4-chlorophenylimino) methyl)-2-methoxyphenol: Crystal structure, thermal behavior, solid-state fluorescence, DFT calculations and FT NMR spectral analysis

Nagapandiselvi, P., Baby, C., Gopalakrishnan, R.

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014