Volume 1180

Journal of Molecular Structure

Volume 1180

1

Six 1D/2D Zinc(II) coordination complexes constructed based on semirigid Bis(dimethylbenzimidazole) ligand and different carboxylates: Syntheses, structures, and photoluminescence properties

Liu, Lu, Wang, Jichao, Xu, Chunying, Zhang, Yuquan, Li, Ying, Li, Changgong, Wang, Jianji, Zhang, Yuping

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.71 MB

english, 2019

2

Quantum mechanical approach for structure elucidation of novel halogenated sesquiterpene lactones

Alvarenga, Elson S., Santos, Juliana O., Moraes, Fernanda C., Carneiro, Vânia M.T.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 447 KB

english, 2019

3

Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5-trihydroxybenzoate -methanol (DETM)

Tahir, Muhammad Nawaz, Mirza, Shafaat Hussain, Khalid, Muhammad, Ali, Akbar, Khan, Muhammad Usman, Braga, Ataualpa Albert Carmo

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.11 MB

english, 2019

4

Synthesis, characterization and crystal structure of heterocyclic tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidinone derivatives via sequential aza-Wittig/base catalyzed cyclization

Chen, Hong, Liu, Ming-Guo

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

5

Synthesis, characterization, biological activity and theoretical studies of a 2-amino-6-methoxybenzothiazole-based fluorescent Schiff base

Alpaslan, Gökhan, Boyacioglu, Bahadir, Demir, Neslihan, Tümer, Yasemin, Yapar, Gönül, Yıldırım, Nuray, Yıldız, Mustafa, Ünver, Huseyin

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.45 MB

english, 2019

6

Different reactivity patterns for [M(trien)]2+/3+ (M = NiII and CoIII) toward azido ions: Cationic charge dependence and different mode of ligand enfolding for 1D chain formation

Mandal, Debashree, Ray, Debashis

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.06 MB

english, 2019

7

Mixed-ligand strategy affording two new metal-organic frameworks: Photocatalytic, luminescent and anti-lung cancer properties

Yu, Long-Gang, Sun, Yu-Guo, Wang, Zhi-Liang

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.68 MB

english, 2019

8

Synthesis and characterization of SiO2 doped Fe2O3 nanoparticles: Photocatalytic and antimicrobial activity evaluation

Arshad, Muhammad, Abbas, Mazhar, Ehtisham-ul-Haque, Syed, Farrukh, Muhammad Akhyar, Ali, Abid, Rizvi, Hina, Soomro, Gul Afshan, Ghaffar, Abdul, Yameen, Muhammad, Iqbal, Munawar

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.88 MB

english, 2019

9

XRD, FT-IR, FT-Raman spectra and ab initio HF vibrational analysis of bis (5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) selenate dihydrate

Boursas, F., Berrah, F., Kanagathara, N., Anbalagan, G., Bouacida, S.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.59 MB

english, 2019

10

Spectroscopy in the 21st century: The future of molecular spectroscopy

Mantsch, Henry Horst

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 258 KB

english, 2019

11

Molecular structures, DFT studies and their photophysical properties in solution and solid state. Microwave-assisted multicomponent synthesis of organotin bearing Schiff bases

Cantón-Díaz, Arelly M., Muñoz-Flores, Blanca M., Moggio, Ivana, Arias, Eduardo, Turlakov, Gleb, Del Angel-Mosqueda, Casiano, Ramirez-Montes, Pedro I., Jiménez-Pérez, Víctor M.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.80 MB

english, 2019

12

Synthesis, characterization and photocatalytic activity of boron-doped titanium dioxide nanotubes

Hoşgün, Halit L., Aydın, M. Türkay Aytekin

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.05 MB

english, 2019

13

Excited state dipole moment of the fluorescein molecule estimated from electronic absorption spectra

Morosanu, Ana Cezarina, Dimitriu, Dan Gheorghe, Dorohoi, Dana Ortansa

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.10 MB

english, 2019

14

Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis

Iruthayaraj, Ancy, Chinnasamy, Kalaiarasi, Jha, Kunal Kumar, Munshi, Parthapratim, Pavan, Mysore S., Kumaradhas, Poomani

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 4.60 MB

english, 2019

15

Synthesis and properties of interspersed structure complexes prepared from 4,4'-(phenylazanediyl)- dibenzoic acid with rigid and semi-rigid nitrogen-containing ligands

Zhao, Lun, XinLiu,, Zhao, Changjiang, Meng, Lingshu

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 3.62 MB

english, 2019

16

Monitoring the characteristic properties of Ga-doped ZnO by Raman spectroscopy and atomic scale calculations

Horzum, Seyda, Iyikanat, Fadil, Senger, Ramazan Tuğrul, Çelebi, Cem, Sbeta, Mohamed, Yildiz, Abdullah, Serin, Tülay

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 4.03 MB

english, 2019

17

Cr(III), Mn(II), Co(II), Ni(II) and Cu(II) complexes of 7-((1H-benzo[d]imidazol-2-yl)diazenyl)-5-nitroquinolin-8-ol.synthesis, thermal, spectral, electrical measurements, molecular modeling and biological activity

Gaber, Mohamed, El-Wakiel, Nadia, Hemeda, Osama M.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

18

Molecular structures of nickel adducts in zeolites – Interpretation of experimental EPR g-tensors guided by DFT calculations

Podolska-Serafin, Katarzyna, Pietrzyk, Piotr

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.26 MB

english, 2019

19

Perspective anti-thyroid drug 2-thioxo-5-(3,4,5-trimethoxybenzylidene) thiazolidin-4-one: X-ray and thermogravimetric characterization of two novel molecular adducts, obtained by interaction with I2

Ivolgina, Victoria A., Chernov'yants, Margarita S., Popov, Leonid D., Suslonov, Vitaliy V., Borodkin, Gennady S., Luanguzov, Nikolay V., Avtushenko, Natalya A.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.88 MB

english, 2019

20

Calcium complexing behaviour of lactate in neutral to highly alkaline medium

Dudás, Csilla, Kutus, Bence, Böszörményi, Éva, Peintler, Gábor, Attia, Amr A.A., Lupan, Alexandru, Kele, Zoltán, Sipos, Pál, Pálinkó, István

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 1.25 MB

2019

21

Structural, FT-IR, FT-Raman and ECD studies on the free base, cationic and hydrobromide species of scopolamine alkaloid

Rudyk, Roxana A., Checa, Maria A., Catalán, César A.N., Brandán, Silvia Antonia

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.51 MB

english, 2019

22

Impact of hydrogen bonding network configuration on intramolecular distortion in solid state: Studies on low-frequency vibrations of L-glutamic acid and L-glutamine

Li, Yin, Xu, Li, Li, Heng, Xiong, Guangyun, Liu, Qing, Yang, Wenfei, Yang, Shuning, Deng, Xiaohua

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.64 MB

english, 2019

23

Novel stilbene analogues containing thiazole moiety: Synthesis, biological evaluation and docking study

Lu, Qi, Yu, Qian, Zhu, Ya-Bo, Weng, Jian-Quan, Yuan, Jing, Hu, De-Xuan, Chen, Jie, Liu, Xing-Hai, Tan, Cheng-Xia

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 952 KB

english, 2019

24

A theoretical study on the molecular encapsulation of luteolin and pinocembrin with various derivatized beta-cyclodextrins

Mahalapbutr, Panupong, Thitinanthavet, Kanokwan, Kedkham, Thadsanee, Nguyen, Huy, Theu, Le thi ha, Dokmaisrijan, Supaporn, Huynh, Lam, Kungwan, Nawee, Rungrotmongkol, Thanyada

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 3.07 MB

english, 2019

25

A comparative study of the singlet oxygen generation capability of a zinc phthalocyanine linked to graphene quantum dots through π-π stacking and covalent conjugation when embedded in asymmetric polymer membranes

Mafukidze, Donovan M., Nyokong, Tebello

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.51 MB

english, 2019

26

ATR-FTIR analysis on the hydrogen bonding network and glycosidic bond of DC air plasma processed cellulose

Anitha, S., Vaideki, K., Prabhu, S., Jayakumar, S.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.70 MB

english, 2019

27

Crystal structure of a lapacholate complex with Co(II), a potential antibacterial pharmaceutical

Farfán, R.A., Espíndola, J.A., Gómez, M.I., Audisio, M.C., Britos, M.L., Castellano, E.E., Piro, O.E.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.08 MB

english, 2019

28

The aggregation behaviour of 2H-imidazole-2-thione derivatives in solution, the solid state and over polycrystalline gold surface

Hung, Truong Ngoc, Varga, Gábor, Kónya, Zoltán, Kukovecz, Ákos, Kozma, Gábor, Havasi, Viktor, Sipos, Pál, Mlostoń, Grzegorz, Pálinkó, István

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.39 MB

english, 2019

29

Chemically bonded phosphate ceramics based on silica residues enriched with iron(III) oxide and silicon carbide

Mastalska-Popławska, Joanna, Pernechele, Matteo, Troczynski, Tom, Izak, Piotr, Góral, Zuzanna

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.05 MB

english, 2019

30

Investigation of MI-2 analogues as MALT1 inhibitors to treat of diffuse large B-Cell lymphoma through combined molecular dynamics simulation, molecular docking and QSAR techniques and design of new inhibitors

Safarizadeh, Hossein, Garkani-Nejad, Zahra

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 4.00 MB

english, 2019

31

Polymer – Ionic liquid – Pharmaceutical conjugates as drug delivery systems

Halayqa, Mohammed, Zawadzki, Maciej, Domańska, Urszula, Plichta, Andrzej

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.72 MB

english, 2019

32

1-Aryl-3,5-dimethylpyrazolium based tunable protic ionic liquids (TPILs)

Özdemir, Melek Canbulat, Özgün, Beytiye, Aktan, Ebru

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.48 MB

english, 2019

33

Effect of Ni substitution on the structural and optical properties of SrZr1-xNixO3 (0.05≤x≤0.20) perovskites

Kaur, Paramvir, Singh, K.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.80 MB

english, 2019

34

Novel D-A-π-A type benzocarbazole sensitizers for dye sensitized solar cells

Han, Liang, Liu, Jie, Liu, Yang, Cui, Yanhong

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 978 KB

english, 2019

35

Corrigendum to “Hirshfeld surface analyses and crystal structures of supramolecular self-assembly thiourea derivatives directed by non-covalent interactions” [J. Mol. Struct. 1157 (2018) 78–88]

Gumus, Ilkay, Solmaz, Ummuhan, Binzet, Gun, Keskin, Ebru, Arslan, Birdal, Arslan, Hakan

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 247 KB

english, 2019