Volume 1128

Journal of Molecular Structure

Volume 1128

1

Synthesis, crystal structure and luminescence properties of acenaphthene benzohydrazide based ligand and its zinc(II) complex

Kumar, Mukesh, Roy, Soumyabrata, Faizi, Md. Serajul Haque, Kumar, Santosh, Singh, Mantu Kumar, Kishor, Shyam, Peter, Sebastian C., John, Rohith P.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.99 MB

english, 2017

2

Synthesis and characterization of d10 metal complexes of 3-Me-5-FcPz: Structural, theoretical and third order nonlinear optical properties

Senthilkumar, Kabali, Thirumoorthy, Krishnan, Vinitha, G., Soni, Kiran, Bhuvanesh, Nattamai S.P., Palanisami, Nallasamy

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

3

Experimental (X-ray, IR and UV–vis.) and DFT studies on cocrystallization of two tautomers of a novel Schiff base compound

Temel, Ersin, Alaşalvar, Can, Eserci, Hande, Ağar, Erbil

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 3.74 MB

english, 2017

4

Characterization of π-stacking interactions between aromatic amino acids and quercetagetin

Akher, Farideh Badichi, Ebrahimi, Ali, Mostafavi, Najmeh

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.34 MB

english, 2017

5

Syntheses, crystal structures, electronic spectra and magnetic properties of two ion-pair charge transfer complexes based on [Ni(mnt)2]−

Xu, Xiao-Yi, Chen, Xuan-Rong, Yang, Qing-Cheng, Xue, Chen, Tao, Jian-Qing, Liu, Jian-Lan, Ren, Xiao-Ming

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

6

Isolation and spectroscopic characterization of Zn(II), Cu(II), and Pd(II) complexes of 1,3,4-thiadiazole-derived ligand

Karcz, Dariusz, Matwijczuk, Arkadiusz, Boroń, Bożena, Creaven, Bernadette, Fiedor, Leszek, Niewiadomy, Andrzej, Gagoś, Mariusz

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.30 MB

english, 2017

7

Six complexes based on bis(imidazole/benzimidazole-1-yl)pyridazine ligands: Syntheses, structures and properties

Wang, Xin-Fang, Du, Ceng-Ceng, Zhou, Sheng-Bin, Wang, Duo-Zhi

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.81 MB

english, 2017

8

Synthesis of a new π-conjugated redox oligomer: Electrochemical and optical investigation

Blili, Saber, Zaâboub, Zouhour, Maaref, Hassen, Haj Said, Ayoub

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 984 KB

english, 2017

9

Synthesis, characterization and structural study of mercury(II) complexes with fluoroalkylthiocarbamates

Chniti, I., Sanhoury, M.A.K., Maouati, H., Guillot, R., Merlet, D., Chehidi, I.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 576 KB

english, 2017

10

Two lanthanide-hydroxo clusters with different nuclearity: Synthesis, structures, luminescent and magnetic properties

Li, Xi-Li, Zhu, Cancan, Zhang, Xue-Li, Hu, Ming, Wang, Ai-Ling, Xiao, Hong-Ping

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.06 MB

english, 2017

11

X-ray crystal structure, infrared, Raman and density functional studies of 7-azaindole-3-carboxaldehyde

Morzyk-Ociepa, Barbara, Szmigiel, Ksenia, Turowska-Tyrk, Ilona, Michalska, Danuta

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 910 KB

english, 2017

12

Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations

Jalaja, K., Mary, Y. Sheena, Panicker, C. Yohannan, Armaković, Stevan, Armaković, Sanja J., Sagar, B.K., Girisha, M., Yathirajan, H.S., Van Alsenoy, C.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.23 MB

english, 2017

13

Interfacial structures of 1-methyladenine, 3-methyladenine, 7-methyladenine, and 9-methyladenine on gold nanoparticles by Raman spectroscopy

Nguyen, Dinh Bao, Joo, Sang-Woo, Choo, Jaebum

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 737 KB

english, 2017

14

Coordination behavior of new bis(tridentate ONO, ONS and ONN) donor hydrazones towards some transition metal ions: Synthesis, spectral, thermal, antimicrobial and antitumor studies

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.95 MB

english, 2017

15

Dynamic and spectroscopic studies of nano-micelles comprising dye in water/ dioctyl sodium sulfosuccinate /decane droplet microemulsion at constant water content

Rahdar, Abbas, Almasi-Kashi, Mohammad

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 470 KB

english, 2017

16

Dispersion-corrected DFT study on the structural transformations and absorption properties of crystalline 3′-Amino-3′-deoxyadenosine

Guo, Ying, Zhao, Xingqiang, Liu, Qingqing

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 3.31 MB

english, 2017

17

Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid

Bukonjić, Andriana M., Tomović, Dušan Lj., Nikolić, Miloš V., Mijajlović, Marina Ž., Jevtić, Verica V., Ratković, Zoran R., Novaković, Slađana B., Bogdanović, Goran A., Radojević, Ivana D., Maksimović

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 933 KB

english, 2017

18

Studies on the contributions of steric and polarity effects to the H2S-binding properties of Vitreoscilla hemoglobin

Wang, Dandan, Wang, Hui, Li, Haichao, Liu, Li, Li, Zhengqiang

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.86 MB

english, 2017

19

A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cd(II) complex with the 2-amino-4-methylpyrimidine ligand

Klai, Kacem, Kaabi, Kamel, Kaminsky, Werner, Jelsch, Christian, Lefebvre, Frédéric, Ben Nasr, Cherif

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.61 MB

english, 2017

20

Experimental and theoretical study on a new copper(II) complex derived from pyridoxal hydrochloride and 1,2-diaminocyclohexane

Mandal, Senjuti, Sikdar, Yeasin, Sanyal, Ria, Goswami, Sanchita

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 3.83 MB

english, 2017

21

Synthesis, characterization and crystal structure of 4′-ethynylflavanone and its chalcone precursor

Salinas-Ortega, Ismael, Ocayo, Fernanda, Santos, Juan C., Trujillo, Alexander, Escobar, Carlos A.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 713 KB

english, 2017

22

DFT study of hydrogen bonding and IR spectra of calix[6]arene

Furer, V.L., Potapova, L.I., Kovalenko, V.I.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.05 MB

english, 2017

23

Synthesis, crystal structure, DFT analysis and fungicidal activity of a novel series O-substituted trifluoroatrolactamide derivatives

Yang, Hui-Hui, Cui, Can, Zhu, Cong, Li, Jian-Qiang, Wu, Rui, Tian, Lei, Zhao, Wei-Guang

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.61 MB

english, 2017

24

Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one

Zainuri, D. Alwani, Arshad, Suhana, Khalib, N. Che, Razak, I. Abdul, Pillai, Renjith Raveendran, Sulaiman, S. Fariza, Hashim, N. Shafiqah, Ooi, K. Leong, Armaković, Stevan, Armaković, Sanja J., Panick

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.97 MB

english, 2017

25

Structural characterization, antibacterial and catalytic effect of iron oxide nanoparticles synthesised using the leaf extract of Cynometra ramiflora

Groiss, Silvia, Selvaraj, Raja, Varadavenkatesan, Thivaharan, Vinayagam, Ramesh

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.80 MB

english, 2017

26

Spectroscopic and DFT studies of zinc(II) complexes of diamines and thiocyanate; crystal structure of (cis-1,2-diaminocyclohexane)bis(thiocyanato-κN)zinc(II)

Akhtar, Muhammad, Alotaibi, Mshari A., Alharthi, Abdulrahman I., Zierkiewicz, Wiktor, Tahir, Muhammad Nawaz, Mazhar, Muhammad, Isab, Anvarhusein A., Monim-ul-Mehboob, Muhammad, Ahmad, Saeed

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 920 KB

english, 2017

27

Spectroscopic and theoretical analysis of Pd2+−Cl−−H2O system

Podborska, Agnieszka, Wojnicki, Marek

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.03 MB

english, 2017

28

Tautomer-selective derivatives of enolate, ketone and enaminone by addition reaction of picolyl-type anions with nitriles

Bai, Jianliang, Wang, Peng, Cao, Wei, Chen, Xia

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.80 MB

english, 2017

29

The conformational analysis of push-pull enaminones using FTIR and NMR spectroscopy, and quantum chemical calculations. VI. β−N−Methyl-aminovinyl trifluoromethyl ketone and α−methyl−β−N−methylaminovinyl trifluoromethyl ketone

Vdovenko, Sergey I., Gerus, Igor I., Zhuk, Yuri I., Kukhar, Valery P., Pagacz-Kostrzewa, Magdalena, Wierzejewska, Maria, Daniliuc, Constantin-Gabriel

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.13 MB

english, 2017

30

Spectroscopic (FT-IR, FT-Raman, UV–Visible) and quantum chemical studies of 4-Chloro-3-iodobenzophenone

Venkata Prasad, K., Muthu, S., Santhamma, C.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 642 KB

english, 2017

31

An unexpected reaction pathway in the synthesis of the ABCE framework of strychnine-type alkaloids – A multidisciplinary study

Šoral, Michal, Markus, Jozef, Doháňošová, Jana, Šoralová, Stanislava, Dvoranová, Dana, Chyba, Andrej, Moncol, Ján, Berkeš, Dušan, Liptaj, Tibor

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 922 KB

english, 2017

32

Synthesis and characterization of two novel inorganic/organic hybrid materials based on polyoxomolybdate clusters: (C5H5N5)2(C5H6N5)4[(HAsO4)2Mo6O18]·11H2O and Na2(Himi)3[SeMo6O21(CH3COO)3]·6H2O

Ayed, Meriem, Mestiri, Imen, Ayed, Brahim, Haddad, Amor

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.47 MB

english, 2017

33

Temperature and frequency dependent dielectric properties of electrically conducting oxidatively synthesized polyazomethines and their structural, optical, and thermal characterizations

Dineshkumar, Sengottuvelu, Muthusamy, Athianna, Chandrasekaran, J.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 4.59 MB

english, 2017

34

Cobalt(II) complexes with hydroxypyridines and halogenides

Dojer, Brina, Pevec, Andrej, Jagličić, Zvonko, Kristl, Matjaž

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.31 MB

english, 2017

35

Synthesis and characterization of the adducts of bis(O-butylxanthato)Ni(II) with nitrogen donor ligands and X-ray structure of bis(O-butylxanthato)bis(3-chloropyridine)nickel(II)

Kour, Inderjeet, Kour, Gurvinder, Sachar, Renu, Anthal, Sumati, Kant, Rajni

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.22 MB

english, 2017

36

Computational model for the acylation step of the β-lactam ring: Potential application for l,d-transpeptidase 2 in mycobacterium tuberculosis

Fakhar, Zeynab, Govender, Thavendran, Lamichhane, Gyanu, Maguire, Glenn E.M., Kruger, Hendrik G., Honarparvar, Bahareh

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 814 KB

english, 2017

37

Preparation, spectroscopic characterization and antimicrobial activities of mixed metal (Sb and Bi) bridged derivatives with mixed sulfur donor ligands

Joshi, Sapana, Chauhan, H.P.S., Carpenter, Nitin

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.08 MB

english, 2017

38

The carbon mainframe structure of cis-trans-1,3-difluoroacetone

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 375 KB

english, 2017

39

Four new coordination polymers based on carboxyphenyl-substituted dipyrazinylpyridine ligand: Syntheses, structures, magnetic and luminescence properties

Yuan, Fei, Zhang, Lu, Hu, Huai-Ming, Bai, Chao, Xue, Ganglin

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.13 MB

english, 2017

40

Metal ions directed assembly of two coordination polymers based on an organic phosphonate anion and a multidentate N-donor ligand

Kan, Wei-Qiu, Xu, Ji-Ming, Wen, Shi-Zheng, Yang, Lin

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.82 MB

english, 2017

41

An unusual 2p-3d-4f heterometallic coordination polymer featuring Ln8Na and Cu8I clusters as nodes

Zhao, Mingjuan, Chen, Shimin, Huang, Yutian, Dan, Youmeng

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

42

Temperature dependence of the damping constant and the relaxation time close to the tetragonal-cubic phase transition in SrZrO3

Yurtseven, H., Kiraci, A.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 402 KB

english, 2017

43

Preparation, structures and antimicrobial activity of four different type metal complexes on the base of diethanolamine and o-nitrobenzoic acid

Ibragimov, A.B., Ashurov, J.M., Ibragimov, B.T., Zakirov, B.S.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.42 MB

english, 2017

44

Azomethine diimides end-capped with anthracene moieties: Experimental and theoretical investigations

Schab-Balcerzak, Ewa, Grucela, Marzena, Malecki, Grzegorz, Kotowicz, Sonia, Siwy, Mariola, Janeczek, Henryk, Golba, Sylwia, Praski, Aleksander

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 1.36 MB

english, 2017

45

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 80 KB

english, 2017