Volume 1201

Journal of Molecular Structure

Volume 1201

1

Concentration-dependent structure of KCl aqueous solutions under weak magnetic field from the X-ray diffraction and molecular dynamics simulation

Wang, Jihong, Lin, He, An, Shasha, Li, Shenyu, Li, Fei, Yuan, Junsheng

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 2.38 MB

english, 2020

2

Application of PVA-b-NaY zeolite mixture membranes in pervaporation method

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 2.28 MB

english, 2020

3

Zn(II) complex derived from bidentate Schiff base ligand: Synthesis, characterization, DFT studies and evaluation of anti-inflammatory activity

Azam, Mohammad, Al-Resayes, Saud I., Trzesowska-Kruszynska, Agata, Kruszynski, Rafal, Shakeel, Faiyaz, Soliman, Saied M., Alam, Mahboob, Khan, Mohammad Rizwan, Wabaidur, Saikh Mohammad

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2020

4

Optical properties of RAS (N–CH3-2-NH2-5Cl-Py)(TCNQ)(CH3CN) solvate

Starodub, Tetiana N., Barszcz, Boleslaw, Bednarski, Waldemar, Mizera, Adam, Starodub, Volodymyr A.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.75 MB

english, 2020

5

Multi-spectroscopic and molecular docking technique study of the azelastine interaction with human serum albumin

Almutairi, Fahad M., Ajmal, Mohammad Rehan, Siddiqi, Mohammad Khursheed, Amir, Mohd, Khan, Rizwan Hasan

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.09 MB

english, 2020

6

Characterization and DFT calculation of poly(m-anisidine) synthesized with different dopant acids

Veras, Tiago N., Carolino, Adriano S., Lima, Suzan X., Biondo, Matheus M., Santos, Nataly A., Campelo, Pedro H., Ruiz, Yurimiler L., Frota, Hidembergue O., Sanches, Edgar A.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 3.72 MB

english, 2020

7

New {bis-pyridine-bis-[3-methyl-1-butoxy-(p-methoxyphenyl)phosphonodithioato]}nickel(II) complex: Synthesis, characterization, single crystal structure and theoretical studies

Sağlam, Ertuğrul Gazi, Zeyrek, Celal Tuğrul, Dal, Hakan, Ünver, Hüseyin, Ebinç, Ahmet

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2020

8

Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies

Asad, Mohammad, Arshad, Muhammad Nadeem, Khan, Salman A., Oves, Mohammad, Khalid, Muhammad, Asiri, Abdullah M., Braga, Ataualpa A.C.

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 3.33 MB

2020

9

Analysis of polystyrene and polycarbonate used in manufacturing of water and food containers using laser induced breakdown spectroscopy

Farooq, W.A., Al-Johani, Awatef S., Alsalhi, M.S., Tawfik, Walid, Qindeel, Rabia

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.33 MB

english, 2020

10

The new zinc(II) phthalocyanine directly conjugated with 4-butylmorpholine units: Synthesis, characterization, thermal, spectroscopic and photophysical properties

Mutlu, Fatih, Pişkin, Mehmet, Canpolat, Erdal, Öztürk, Ömer Faruk

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.92 MB

english, 2020

11

Synthesis of novel pyrido[2,1-b]benzothiazole and N-substituted 2-pyridylbenzothiazole derivatives showing remarkable fluorescence and biological activities

Azzam, Rasha A., Elgemeie, Galal H., Osman, Rokia R.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2020

12

Vibrational spectra, hydrogen bonding analysis and herbicidal activity study of mefenacet: A DFT approach

Suma, N., Aruldhas, D., Hubert Joe, I., Balachandran, S., Anuf, A. Ronaldo, Sasi, Arun, George, Jesby

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 6.85 MB

english, 2020

13

Comprehensive study on the topological properties of 5-Amino-2-Methyl Benzene Sulfonamide involving inter and intra molecular hydrogen bonds

Anzline, C., Sivakumar, P., Israel, S., Sujatha, K.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 5.74 MB

english, 2020

14

Electronic structure, vibrational spectra and 1H NMR chemical shifts of the ion pair composites within imidazolium functionalized geminal dicationic ionic liquids from density functional theory

Verma, Prakash L., Gejji, Shridhar P.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 2.50 MB

english, 2020

15

Quantitative structure-activity relationships study of a series of niacinamide analogues as androgen receptor antagonists

Xu, Xueting, Xu, Binbin, Wang, Xin, Li, Jiazhong

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 3.37 MB

english, 2020

16

Synthesis, crystal structures, and luminescence sensing properties of two metal complexes containing bis(thiabendazole) moieties

Shi, Yong-Sheng, Hao, Zeng-Chuan, Han, Chao, Cui, Guang-Hua

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 3.41 MB

english, 2020

17

Design, theoretical study and correlation of the electronic and optical properties of diethynylphenylthiophene as photovoltaic materials

Suarez, Melissa, Caicedo, Carolina, Morales, Jimmy, López, Edwin Flórez-, Torres, Yenny Ávila-

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 4.38 MB

2020

18

Characterization and stability of beta-acids/hydroxypropyl-β-cyclodextrin inclusion complex

Gu, Wenjie, Liu, Yumei

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 2.13 MB

2020

19

Effect of adiphenine hydrochloride on the structure of bovine serum albumin: Spectroscopic and docking study

Dohare, Neeraj, ud din Parray, Mehraj, Siddiquee, Md Abrar, Khan, Abbul Bashar, Alzahrani, Khalid Ahmed, Alshehri, Abdulmohsen Ali, Malik, Maqsood Ahmad, Patel, Rajan

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 2.56 MB

2020

20

Direct versus hydrogen-assisted dissociation of CO on iron surfaces: Kinetic Monte Carlo and microkinetic modeling

Amaya-Roncancio, S., Arroyo-Gómez, J.J., Linares, D.H., Sapag, K.

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 446 KB

2020

21

A novel nano-structured three-dimensional supramolecular metal-organic framework for cadmium (II): A new precursor for producing nano cadmium oxide

Mirtamizdoust, Babak, Hanifehpour, Younes, Behzadfar, Ehsan, Sadeghi-Roodsari, Majid, Jung, Jae Hak, Joo, Sang Woo

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 2.30 MB

english, 2020

22

Mixed ligand coordination complexes by using multicomponent ligand: Syntheses, characterization and effect of non-covalent interactions on their framework structures

Das, Anamika, Halder, Arijit, Bhattacharya, Biswajit, Pahari, Goutam, Ghoshal, Debajyoti

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.99 MB

english, 2020

23

Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents. An experimental and theoretical investigation

Martins, Danilo E., Madeira, Rafael M., Fernandes, Cleverton S., Galembeck, Sergio E., Basso, Ernani A., Pontes, Rodrigo M.

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.78 MB

english, 2020

24

Quinoline based chromogenic and fluorescence chemosensor for pH: Effect of isomer

Hazra, Ananta, Roy, Ankita, Bhattacharjee, Aradhita, Barma, Arpita, Roy, Partha

Journal:

Journal of Molecular Structure

Année:

2020

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2020

25

Recovery of acetophenones from acetophenone hydrazones using ultraviolet radiation and chlorinated solvents. An experimental and theoretical investigation

Martins, Danilo E., Madeira, Rafael M., Fernandes, Cleverton S., Galembeck, Sergio E., Basso, Ernani A., Pontes, Rodrigo M.

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 1.78 MB

2020

26

Editorial Board

Journal:

Journal of Molecular Structure

Année:

2020

Fichier:

PDF, 80 KB

2020