Volume 1167

Journal of Molecular Structure

Volume 1167

1

Crystal structure, spectroscopic study, photoluminescent properties and DFT calculations of the 2-guanidinobenzimidazolium dichloride and dibromide monohydrate salts

Hassen, S., Chebbi, H., Zid, M.F., Arfaoui, Y.

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.60 MB

english, 2018

2

Structural, SC-XRD and spectroscopic investigation of schiff base derivatives: A joint experimental and DFT investigation

Khalid, Muhammad, Ullah, Raja Summe, Choudhary, Muhammad Aziz, Tahir, Muhammad Nawaz, Murtaza, Shahzad, MunawarHussain,, BakhatAli,, ZahoorAhmed,

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.50 MB

english, 2018

3

Thermal induced structural changes of polyhydroxyamide by two-dimensional (2D) infrared correlation study

Chae, Boknam, Seo, Ji Hun, Moon, Kwan Ho, Jung, Young Mee, Lee, Seung Woo

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 643 KB

english, 2018

4

Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies

Sureshkumar, B., Mary, Y.Sheena, Resmi, K.S., Suma, S., Armaković, Stevan, Armaković, Sanja J., Van Alsenoy, C., Narayana, B., Sobhana, D.

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.34 MB

english, 2018

5

Structural and luminescent properties of a new 1D Cadmium(II) coordination polymer: A combined effort with experiment & theory

De, Abhranil, Sahu, Anita, Paul, Suvendu, Joshi, Mayank, Choudhury, Angshuman Roy, Biswas, Bhaskar

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 5.18 MB

english, 2018

6

Iron(III) and nickel(II) complexes with S -alkyl ( n -C 1-6 )- thiosemicarbazidato ligands: Synthesis, structural characterization, and antioxidant features

Kaya, Büşra, Şahin, Onur, Bener, Mustafa, Ülküseven, Bahri

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.09 MB

english, 2018

7

Combined experimental and theoretical studies on the diorganotin(IV) complexes of sparfloxacin: Synthesis, spectroscopic and DFT studies, and biological activity

Joshi, Rachana, Yadav, Swatantra Kumar, Pandey, Nidhi, Mishra, Hirdyesh, Tilak, Ragini, Pokharia, Sandeep

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.28 MB

english, 2018

8

Synthesis, spectroscopic characterization and crystallographic behavior of ethyl 2-(4-methyl-(2-benzylidenehydrazinyl))thiazole-4-carboxylate: Experimental and theoretical (DFT) studies

Haroon, Muhammad, Akhtar, Tashfeen, Yousuf, Muhammad, Baig, Mirza Wasif, Tahir, Muhammad Nawaz, Rasheed, Lubna

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.12 MB

english, 2018

9

Structural investigation of gel-derived materials from the SiO 2 Al 2 O 3 system

Zagrajczuk, Barbara, Dziadek, Michal, Olejniczak, Zbigniew, Sulikowski, Bogdan, Cholewa-Kowalska, Katarzyna, Laczka, Maria

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.69 MB

english, 2018

10

Spectroscopic exploration and molecular docking analysis on interaction of synthesized schiff base ligand with serum albumins

Rudra, Suparna, Dasmandal, Somnath, Patra, Chiranjit, Mahapatra, Ambikesh

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.65 MB

english, 2018

11

Spatial structure of atorvastatin and its complex with model membrane in solution studied by NMR and theoretical calculations

Galiullina, L.F., Musabirova, G.S., Latfullin, I.A., Aganov, A.V., Klochkov, V.V.

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.28 MB

english, 2018

12

Co(III) complexes based on α- N -heterocyclic thiosemicarbazone ligands: DNA binding, DNA cleavage, and topoisomerase I/II inhibitory activity studies

Deng, JunGang, Li, Tao, Su, Gaoxing, Qin, Qi-Pin, Liu, Yani, Gou, Yi

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 3.86 MB

english, 2018

13

A novel 3D MOF with rich lewis basic sites as a base catalysis toward knoevenagel condensation reaction

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

14

Pamoic acid-phenanthroline co-crystal and its Cu(II) complex: X-ray structures and luminescence properties

Şimşir, Tugba, Güngör, Seyit Ali, Kose, Muhammet

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.04 MB

english, 2018

15

Spectroscopy studies of TiO 2 /carbon nanotubes nanocomposite layers synthesized by the sol-gel method

Nocuń, Marek, Kwaśny, Sławomir, Kwaśny, Magdalena, Grelowska, Iwona

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 3.11 MB

english, 2018

16

Synthesis, structural exploration, spectral and combinatorial analysis of racemic-3-isobutyl-5-phenyl-5-(pyridin-4-yl)imida-zolidine-2,4-dione: Comparison between experimental and DFT calculations

Benaka Prasad, S.B., Naveen, S., Ananda Kumar, C.S., Lokanath, N.K., Raghu, A.V., Daraghmeh, Iqab, Reddy, Kakarla Raghava, Warad, Ismail

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 3.87 MB

english, 2018

17

Aniline-oriented polymerization over nano -SiO 2 particles

Picanço, Wagner M., Feitosa, Bianca de A., da Silva, Noam G., Silva, Greta T.A., Giacon, Virgínia M., Campelo, Pedro H., de Souza, Sérgio M., de Oliveira, Kelson M.T., Sanches, Edgar A.

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 2.51 MB

english, 2018

18

Syntheses, density functional and sparkle PM6 semi empirical theoretical studies of O,O′-dialkyl/alkylenedithiophosphate derivatives of tin(IV) phthalocyanine adducts

Elkhaldy, A.A.S., Mkadmh, Ahmed M., Staples, Richard J., Boni, Yannic, Abu-Shanab, Alaa, Safi, Zaki S., Wazzan, Nuha A.

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.72 MB

english, 2018

19

Planarity of benzoyldithiocarbazate tuberculostatics.V antibacterial activities of diesters of benzoyldithiocarbazic acid

Szczesio, Małgorzata, Korona-Głowniak, Izabela, Gobis, Katarzyna

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.33 MB

english, 2018

20

Identification of cattail pollen, pine pollen and bee pollen by Fourier transform infrared spectroscopy and two-dimensional correlation infrared spectroscopy

Xu, Xiao-lan, Zheng, Yan-zhen, Chen, Xin-chao, Zhu, Feng-li, Miao, Xiao-qing

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.39 MB

english, 2018

21

Insertion of 1-t-butylpropyne into singly tucked-in permethyltitanocene. Synthesis, crystal structure of product and transition-state geometry

Pinkas, Jiří, Mach, Karel, Kubišta, Jiří, Horáček, Michal, Szarka, Katarína, Gyepes, Róbert

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 1.15 MB

english, 2018

22

Gordon F. Kirkbright bursary award, 2019

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 135 KB

english, 2018

23

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2018

Language:

english

File:

PDF, 80 KB

english, 2018

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