Volume 1196

Journal of Molecular Structure

Volume 1196

1

Treatment of breast cancer with capped magnetic-NPs induced hyperthermia therapy

Munir, Tariq, Mahmood, Arslan, Fakhar-e-Alam, Muhammad, Imran, Muhammad, Sohail, Amjad, Amin, Nasir, Latif, Sadia, Rasool, Hafiz Ghullam, Shafiq, Fahad, Ali, Haider, Mahmood, Khalid

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.08 MB

english, 2019

2

DFT-study of pressure-induced phase transition in L-threonine

Prazyan, Tigran L., Zhuravlev, Yurii N., Golovko, Olga V., Obolonskaya, Oksana S.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019

3

Molecular motion and dielectric relaxation in chloroplumbate hybrid crystal

Yu, S.S., Wang, Z.P., Liu, S.X., Zhang, H., Duan, H.B.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.26 MB

english, 2019

4

GTRS and 2D-NMR studies of alpha and gamma linolenic acids each containing the same H2C14-(H–C C–H)–C11H2–(H–C C–H)–C8H2 moiety

Schmidt, Walter F., Chen, Fu, Broadhurst, C. Leigh, Nguyen, Julie K., Qin, Jianwei, Chao, Kuanglin, Kim, Moon S.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 6.92 MB

english, 2019

5

Synthesis and study of new photochromic spiropyrans modified with carboxylic and aldehyde substituents

Ozhogin, Ilya V., Chernyavina, Valentina V., Lukyanov, Boris S., Malay, Vasily I., Rostovtseva, Irina A., Makarova, Nadezhda I., Tkachev, Valery V., Lukyanova, Maria B., Metelitsa, Anatoly V., Aldoshi

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.36 MB

english, 2019

6

Synthesis, spectroscopic studies, X-ray crystal structure and Hirshfeld surface analysis of unprecedented symmetrical trans-α,α′-bis(diphenylphosphoryl)cycloalkanol derivatives

Jebli, Nejib, Van Hecke, Kristof, Stevens, Christian V., Touil, Soufiane

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 3.39 MB

english, 2019

7

Synthesis and crystal structures of ion-pairs based on anionic iron-dithiolenes and alkylammonium as countercation

Castillo, Oscar, Delgado, Esther, Hernández, Diego, Hernández, Elisa, Martín, Avelino, Pérez, Maria, Zamora, Félix

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.58 MB

english, 2019

8

Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study

Abdulazeez, Ismail, Khaled, Mazen, Al-Saadi, Abdulaziz A.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.21 MB

english, 2019

9

Synthesis, characterization, molecular docking and cytotoxicity studies on N-benzyl-2-isonicotinoylhydrazine-1-carbothioamide and its metal complexes

Abdel-Rhman, Mohamed H., Hussien, Mostafa A., Mahmoud, Heba M., Hosny, Nasser M.

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.93 MB

english, 2019

10

Donor-acceptor complex of 1-benzoylpiperazine with p-chloranil: Synthesis, spectroscopic, thermodynamic and computational DFT gas phase/PCM analysis

Venkatesh, Nampally, Naveen, Baindla, Venugopal, Abbu, Suresh, Gangadhari, Mahipal, Varukolu, Manojkumar, Palnati, Parthasarathy, Tigulla

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 3.92 MB

english, 2019

11

New cyclooctathienopyridine derivatives in the aim of discovering better Anti-Alzheimer's agents

El-Malah, Afaf, Abouelatta, Ahmed I.Y., Mahmoud, Zeinab, Salem, Heba Hamed

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 566 KB

english, 2019

12

Novel highly functionalized 1,4-naphthoquinone 2-iminothiazole hybrids: Synthesis, photophysical properties, crystal structure, DFT studies, and anti(myco)bacterial/antifungal activity

Gemili, Muge, Nural, Yahya, Keleş, Ergin, Aydıner, Burcu, Seferoğlu, Nurgül, Ülger, Mahmut, Şahin, Ertan, Erat, Selma, Seferoğlu, Zeynel

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.10 MB

english, 2019

13

A biguanide derivative and its cyclic anologue: Structural chracterization, AChE inhibitory effect and docking studies

Gungor, Ozge, Kose, Muhammet, Tok, Tugba Taskin

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.58 MB

english, 2019

14

Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N'-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

Çınarlı, Murat, Çınarlı, Esra, Ataol, Çiğdem Yüksektepe, İdil, Önder, Kariptaş, Ergin

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.41 MB

english, 2019

15

Impact of small Er rare earth element substitution on magnetocaloric properties of (La0.9Er0.1)0.67Pb0.33MnO3 perovskite

Çetin, Selda Kılıç, Akça, Gönül, Ekicibil, Ahmet

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.45 MB

english, 2019

16

New Schiff bases derived from benzimidazole as efficient mercury-complexing agents in aqueous medium

Boulebd, Houssem, Lahneche, Yousra Doria, Khodja, Imene Amine, Benslimane, Meriem, Belfaitah, Ali

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.77 MB

2019

17

Regioselective synthesis of 2- and 4-diarylpyridine ethers and their inhibitory activities against phosphodiesterase 4B

Zhao, Xinyun, Chen, Huihui, Xing, Suting, Yuan, Wei, Wu, Lamei, Chen, Xi, Zhan, Chang-Guo

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 951 KB

english, 2019

18

Multi-source information fusion strategies of aerial parts in FTIR-ATR spectroscopic characterization and classification of Paris polyphylla var. yunnanensis

Pei, Yi-fei, Zuo, Zhi-tian, Zhang, Qing-zhi, Wang, Yuan-zhong

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 4.08 MB

english, 2019

19

Computational studies of anti-cancer drug mediated by graphene and reaction mechanism of drug generated alkyl radical with guanine

Begum, Saheen Shehnaz, Gour, Nand Kishor, Sonavane, Uddhavesh, Ray, Suvendra Kumar, Chandra Deka, Ramesh

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 4.95 MB

english, 2019

20

Linkage dependence of charge separated lifetime in small donor-acceptor dyads system

Feng, Wenhui, Li, Ping’an, Sun, Haiya, Liu, Dongzhi, Wang, Lichang, Zhou, Xueqin, Li, Wei, Wang, Tianyang

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.53 MB

english, 2019

21

Photoinduced Wolff rearrangement and tautomerization of 3-chloro-2-hydroxypyridine isolated in an Ar matrix

Hayashi, Masazumi, Koga, Hiroto, Kumakura, Takehiro, Akai, Nobuyuki, Nakata, Munetaka

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.43 MB

english, 2019

22

Sulfonamide-derived hydrazone compounds and their Pd (II) complexes: Synthesis, spectroscopic characterization, X-ray structure determination, in vitro antibacterial activity and computational studies

Özbek, Neslihan, Özdemir, Ümmühan Özmen, Altun, Ahmet Fazıl, Şahin, Ertan

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.68 MB

english, 2019

23

A first-principles computational and experimental investigation on schiff base cobalt complex towards designing solar cells

Chouk, Rihab, Aguir, Chadlia, Haouanoh, Djedjiga, Bergaoui, Manel, Tala-Ighil, Razika, Stathatos, Elias, Khalfaoui, Mohamed

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 1.32 MB

english, 2019

24

Treatment of breast cancer with capped magnetic-NPs induced hyperthermia therapy

Munir, Tariq, Mahmood, Arslan, Fakhar-e-Alam, Muhammad, Imran, Muhammad, Sohail, Amjad, Amin, Nasir, Latif, Sadia, Rasool, Hafiz Ghullam, Shafiq, Fahad, Ali, Haider, Mahmood, Khalid

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.08 MB

2019

25

NMR spectroscopic and theoretical studies on the isomerism of 1,5-benzodiazepin-2-one derivatives containing a perfluorinated side chain

Desens, Willi, Jiao, Haijun, Langer, Peter, Michalik, Dirk

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 985 KB

english, 2019

26

Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties

Chen, Lianqing, Wu, Zhongda, Du, Yanting, Huang, Yufeng, Jin, Shiwei

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 3.18 MB

english, 2019

27

Structural transformation and absorption properties of 2,4,6-Trinitro-2,4,6-triazacyclohexanone under high pressures

Ma, Peng, Wang, Jinpeng, Zhai, Diandian, Hao, Lina, Ma, Congming, Pan, Yong, Jiang, Juncheng, Zhu, Shunguan

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.74 MB

english, 2019

28

Syntheses, crystal structures and DNA binding potential of copper(II) carboxylates

Muhammad, Niaz, Ikram, Muhammad, Perveen, Fouzia, Ibrahim, Musadiq, Ibrahim, Mohammad, Abel,, Viola,, Rehman, Sadia, Shujah, Shaukat, Khan, Waliullah, Shams, Dilawar Farhan, Schulzke, Carola

Journal:

Journal of Molecular Structure

Year:

2019

Language:

english

File:

PDF, 2.92 MB

english, 2019

29

Zn(II)-based metal-organic frameworksderived from dicarboxylate ligand and N-donor ligands as luminescent sensors for selective detection of picric acid

Wang, Jun, Pan, Ying, Lu, Lu, Xiong, Yi-Feng, Fang, Liqing, Luo, Wankun, Wu, Xiren, Kumar, Abhinav

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 1.26 MB

2019

30

Synthesis and crystal structures of ion-pairs based on anionic iron-dithiolenes and alkylammonium as countercation

Castillo, Oscar, Delgado, Esther, Hernández, Diego, Hernández, Elisa, Martín, Avelino, Pérez, Maria, Zamora, Félix

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.58 MB

2019

31

Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study

Abdulazeez, Ismail, Khaled, Mazen, Al-Saadi, Abdulaziz A.

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 1.21 MB

2019

32

Synthesis, characterization, molecular docking and cytotoxicity studies on N-benzyl-2-isonicotinoylhydrazine-1-carbothioamide and its metal complexes

Abdel-Rhman, Mohamed H., Hussien, Mostafa A., Mahmoud, Heba M., Hosny, Nasser M.

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.93 MB

2019

33

New cyclooctathienopyridine derivatives in the aim of discovering better Anti-Alzheimer's agents

El-Malah, Afaf, Abouelatta, Ahmed I.Y., Mahmoud, Zeinab, Salem, Heba Hamed

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 566 KB

2019

34

Novel highly functionalized 1,4-naphthoquinone 2-iminothiazole hybrids: Synthesis, photophysical properties, crystal structure, DFT studies, and anti(myco)bacterial/antifungal activity

Gemili, Muge, Nural, Yahya, Keleş, Ergin, Aydıner, Burcu, Seferoğlu, Nurgül, Ülger, Mahmut, Şahin, Ertan, Erat, Selma, Seferoğlu, Zeynel

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 1.10 MB

2019

35

Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N'-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

Çınarlı, Murat, Çınarlı, Esra, Ataol, Çiğdem Yüksektepe, İdil, Önder, Kariptaş, Ergin

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.41 MB

2019

36

Impact of small Er rare earth element substitution on magnetocaloric properties of (La0.9Er0.1)0.67Pb0.33MnO3 perovskite

Çetin, Selda Kılıç, Akça, Gönül, Ekicibil, Ahmet

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 1.45 MB

2019

37

NMR spectroscopic and theoretical studies on the isomerism of 1,5-benzodiazepin-2-one derivatives containing a perfluorinated side chain

Desens, Willi, Jiao, Haijun, Langer, Peter, Michalik, Dirk

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 985 KB

2019

38

Solvothermal synthesis of novel phenylpyrazole Schiff base fluorescent insecticides fused extended conjugate units for enhancing bioactivities, photophysical and electrochemical properties

Chen, Lianqing, Wu, Zhongda, Du, Yanting, Huang, Yufeng, Jin, Shiwei

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 3.18 MB

2019

39

Structural transformation and absorption properties of 2,4,6-Trinitro-2,4,6-triazacyclohexanone under high pressures

Ma, Peng, Wang, Jinpeng, Zhai, Diandian, Hao, Lina, Ma, Congming, Pan, Yong, Jiang, Juncheng, Zhu, Shunguan

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 2.74 MB

2019

40

Kinetics and evolved gas analysis of the thermo-oxidative decomposition for neat PPS fiber and nano Ti–SiO2 modified PPS fiber

Lian, Dandan, Ren, Jingyi, Han, Wenxin, Ge, Chao, Lu, Jianjun

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 3.24 MB

2019

41

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2019

Language:

french

File:

PDF, 31 KB

french, 2019

42

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2019

File:

PDF, 31 KB

2019