Volume 1086

Journal of Molecular Structure

Volume 1086

1

Structural and vibrational spectroscopic analysis of anticancer drug mitotane using DFT method; a comparative study of its parent structure

Mariappan, G., Sundaraganesan, N.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

2

A DFT study of pyrazine derivatives and their Fe complexes in corrosion inhibition process

Behzadi, Hadi, Roonasi, Payman, Momeni, Mohammad Jafar, Manzetti, Sergio, Esrafili, Mehdi D., Obot, I.B., Yousefvand, Mostafa, Morteza Mousavi-Khoshdel, S.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.71 MB

english, 2015

3

Synthesis and properties of synthetic fulvic acid derived from hematoxylin

Litvin, Valentina A., Minaev, Boris F., Baryshnikov, Gleb V.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 639 KB

english, 2015

4

Photochromism of isomeric diarylethenes with a methylpyridine substituent

Sun, Fengxia, Cui, Shiqiang, Liu, Gang, Zheng, Chunhong, Pu, Shouzhi

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 884 KB

english, 2015

5

Synthesis and characterization of novel Cu (II) complexes with 3-substituted-4-amino-5-mercapto-1,2,4-triazole Schiff bases: A new route to CuO nanoparticles

Aly, Hisham M., Moustafa, Moustafa E., Nassar, Moustafa Y., Abdelrahman, Ehab A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.50 MB

english, 2015

6

Supramolecular structural, thermal properties and biological activity of 3-(2-methoxyphenoxy)propane-1,2-diol metal complexes

Mahmoud, Walaa H., Mahmoud, Nessma F., Mohamed, Gehad G., El-Bindary, Ashraf A., El-Sonbati, Adel Z.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 925 KB

english, 2015

7

Synthesis and spectroscopic investigations of iron oxide nano-particles for biomedical applications in the treatment of cancer cells

Atta, Aly H., El-ghamry, Mosad A., Hamzaoui, Adel, Refat, Moamen S.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

8

Synthesis, structural characterization, in-vitro antibiogram assay and efficient catalytic activities of transition metal(II) chelates incorporating (E)-(2-((2-hydroxybenzylidene)amino)phenyl)(phenyl)methanone ligand

Muniyandi, Vellaichamy, Pravin, Narayanaperumal, Mitu, Liviu, Raman, Natarajan

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

9

Discrimination and similarity evaluation of tissue-cultured and wild Dendrobium species using Fourier transform infrared spectroscopy

Chen, Nai-dong, Chen, Han, Li, Jun, Sang, Mang-mang, Ding, Shen, Yu, Hao

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 932 KB

english, 2015

10

Structural refinement and luminescent property of a novel europium(III) complex with a proton transfer compound containing 2,6-pyridinedicarboxylate and 2,6-pyridinediammonium ligands synthesized by ultrasonic method

Cai, Mengjun, Gao, Xie, Chen, Jianding

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.21 MB

english, 2015

11

UV-light induced conformational changes of 2-pyridinecarboxylic acid in low-temperature argon matrices

Miyagawa, Masaya, Akai, Nobuyuki, Nakata, Munetaka

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

12

Synthesis, crystal structures, and properties of three metal complexes with N-phenylanthranilic acid

Tan, Yu-Hui, Xiong, Jian-Bo, Gao, Ji-Xing, Xu, Qing, Fu, Chao-Wu, Tang, Yun-Zhi, Yang, Shao-Ping, Wen, He-Rui

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.55 MB

english, 2015

13

A comparative study on 4-(4-(3-mesityl-3-methylcyclobutyl)thiazole-2-yl)-1-thia-4-azaspiro[4.5]decan-3-one: Experimental and density functional methods

Şen, Fatih, Ekici, Öner, Dinçer, Muharrem, Cukurovali, Alaaddin

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

14

Effects of different carboxylates on Ag(I) coordination compounds with pyrazinamide and pyrazinecarbonitrile with in situ reaction ligands

Huang, Hua-Qi, Wang, Dan-Feng, Zhang, Ting, Huang, Rong-Bin

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 3.37 MB

english, 2015

15

Synthesis, structure–activity relationship and molecular docking of cyclohexenone based analogous as potent non-nucleoside reverse-transcriptase inhibitors

Nazar, Muhammad Faizan, Abdullah, Muhammad Imran, Badshah, Amir, Mahmood, Asif, Rana, Usman Ali, Khan, Salah Ud-Din

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.37 MB

english, 2015

16

Influence of substituent position on thermal properties, photoluminescence and morphology of pyrene–fluorene derivatives

Feng, Xing, Hu, Jian-Yong, Wei, Xian-Fu, Redshaw, Carl, Yamato, Takehiko

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

17

Effect of intermediate oxide (Y2O3) on thermal, structural and optical properties of lithium borosilicate glasses

Singh, Satwinder, Kalia, Gaurav, Singh, K.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.24 MB

english, 2015

18

Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X=Br and SCN−)

Al-Noaimi, Mousa, Awwadi, Firas F., Haddad, Salim F., Talib, Wamidh H., Jodeh, Shehdeh, Radi, Smaail, Ben Hadda, Taibi, Abdoh, Muneer, Naveen, S., Lokanath, N.K., Warad, Ismail

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.56 MB

english, 2015

19

Mechanosynthesis of a phenylenedivinylidenebisquinoline. Optical, morphological and electroluminescence properties

Gutiérrez, A.R., Vázquez, R.A., Moggio, I., Arias, E., Coreño, O., Maldonado, J.L., Ramos-Ortíz, G., Rodríguez, O., Jiménez-Barrera, R.M.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

20

Synthesis and structural studies of acyl hydrazone derivatives having tetrahydrocarbazole moiety

Sarıgöl, Deniz, Yüksel, Dilek, Okay, Gürol, Uzgören-Baran, Ayşe

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 908 KB

english, 2015

21

Benchmarking quantum mechanical calculations with experimental NMR chemical shifts of 2-HADNT

Liu, Yuemin, Junk, Thomas, Liu, Yucheng, Tzeng, Nianfeng, Perkins, Richard

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 766 KB

english, 2015

22

Extending the lanthanide–terephthalate system: Isolation of an unprecedented Tb(III)-based coordination polymer with high potential porosity and luminescence properties

Le Natur, François, Calvez, Guillaume, Freslon, Stéphane, Daiguebonne, Carole, Bernot, Kevin, Guillou, Olivier

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.69 MB

english, 2015

23

Synthesis and characterization of n-alkylamino derivatives of vitamin K3: Molecular structure of 2-propylamino-3-methyl-1,4-naphthoquinone and antibacterial activities

Chadar, Dattatray, Camilles, Maria, Patil, Rishikesh, Khan, Ayesha, Weyhermüller, Thomas, Salunke-Gawali, Sunita

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.01 MB

english, 2015

24

Structural and conformational study of pentacarbonyl and phosphine substituted Fischer alkoxy- and aminocarbene complexes of molybdenum

Landman, Marilé, Levell, Tamzyn J., Conradie, Marrigje M., van Rooyen, Petrus H., Conradie, Jeanet

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.79 MB

english, 2015

25

Luminescent properties, internal hydrogen bonds and π–π interactions of Cd(II), Zn(II), Co(II) complexes based on 2,8-di(pyridin-4-yl)dibenzothiophene and dicarboxylate ligands

Huang, Cheng-Yan, Wang, Jie, Ding, Zhi-Yuan, Cui, Kai

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.57 MB

english, 2015

26

Virtual screening studies of Chinese medicine Coptidis Rhizoma as alpha7 nicotinic acetylcholine receptor agonists for treatment of Alzheimer’s disease

Xiang, Li, Xu, Youdong, Zhang, Yan, Meng, Xianli, Wang, Ping

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.79 MB

english, 2015

27

Optical absorption and heating rate dependent glass transition in vanadyl doped calcium oxy-chloride borate glasses

Dahiya, M.S., Khasa, S., Agarwal, A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.10 MB

english, 2015

28

Doping effect of dodecyl benzene sulphonic acid in poly(3-hexylthiophene)-P3HT-films

Alveroglu, Esra

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.27 MB

english, 2015

29

A new tetranuclear copper(I) complex based on allyl(5-phenyl-1,3,4-thiadiazol-2-yl)azanide ligand: Synthesis and structural characterization

Slyvka, Yu.I., Goreshnik, E.A., Ardan, B.R., Veryasov, G., Morozov, D., Mys’kiv, M.G.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 891 KB

english, 2015

30

Thermal, optical and structural properties of disulfide and diselenide salts with weakly associated anions

Srinivas, Katam, Babu, Chatla Naga, Prabusankar, Ganesan

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

31

Structural characterization of some sol–gel derived phosphosilicate glasses

Todan, L., Anghel, E.M., Osiceanu, P., Turcu, R.V.F., Atkinson, I., Simon, S., Zaharescu, M.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.81 MB

english, 2015

32

Novel push–pull dendrons with high excited state dipole moments. Synthesis and theoretical analysis of unusual “branched electron distribution”

Guadarrama, Patricia, Terán, Gerardo, Ramos, Estrella, Gutiérrez, Jorge, Hernández, Madelyn

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

33

Editorial board

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 28 KB

english, 2015

34

Three coordination polymers based on different carboxylates, metals and a tri(4-imidazolylphenyl)amine ligand

Wu, Hua, Shi, Chenjie, Zhao, Yanqing, Jiang, Yutong, Tao, Yuehong

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.59 MB

english, 2015

35

Structures and spectroscopic properties of three [Ru(OAc)(2mqn)2NO] (H2mqn=2-methyl-8-quinolinol) isomers: An experimental and density functional theoretical insight

Wang, Jianru, Pan, Huifen, Liu, Jiao, Zhao, Yan, Wu, Yanbo, Wang, Hongfei

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

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