Volume 1097

Journal of Molecular Structure

Volume 1097

1

Physical, structural and optical characterizations of borate modified bismuth–silicate–tellurite glasses

Berwal, Neelam, Kundu, R.S., Nanda, Kirti, Punia, R., Kishore, N.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.95 MB

english, 2015

2

Structural and electromagnetic characterization of Cr-substituted Ni–Zn ferrites synthesized via Egg-white route

Gabal, M.A., Bayoumy, W.A., Saeed, A., Al Angari, Y.M.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

3

Detailed structural study of β-artemether: Density functional theory (DFT) calculations of Infrared, Raman spectroscopy, and vibrational circular dichroism

Wang, Zhiqiang, Chen, Jianchao, Li, Linwei, Zhou, Zhixu, Geng, Yiding, Sun, Tiemin

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.42 MB

english, 2015

4

Fascinating functional properties of Mn:Gd2O3 nanocrystalline phosphor

Heiba, Zein K., Imam, N.G., Bakr Mohamed, Mohamed

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 974 KB

english, 2015

5

Protein flexibility oriented virtual screening strategy for JAK2 inhibitors

Xiong, Xiao, Yuan, Haoliang, Zhang, Yanmin, Xu, Jinxing, Ran, Ting, Liu, Haichun, Lu, Shuai, Xu, Anyang, Li, Hongmei, Jiang, Yulei, Lu, Tao, Chen, Yadong

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.48 MB

english, 2015

6

Synthesis and study of fluorescence properties of novel pyrazolo[4′,3′:5,6]pyrido[2,3-d]pyrimidin-5(6H)-one derivatives

Quiroga, Jairo, Acosta, Paola, Ortiz, Alejandro, Insuasty, Braulio, Abonia, Rodrigo

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.35 MB

english, 2015

7

Synthesis, crystal structure and vibrational spectroscopic analysis of tetrakis(5-amino-1-H-1,2,4-triazol-4-ium) decachlorodibismuthate(III):[C2H5N4]4Bi2Cl10

Aloui, Z., Ferretti, V., Abid, S., Lefebvre, F., Rzaigui, M., Nasr, C. Ben

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

8

Spectroscopy studies on Schiff base N,N′-bis(salicylidene)-1,2-phenylenediamine by NMR, infrared, Raman and DFT calculations

de Toledo, T.A., Pizani, P.S., da Silva, L.E., Teixeira, A.M.R., Freire, P.T.C.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 962 KB

english, 2015

9

1H and 13C NMR chemical shift investigations of hydrogenated small fullerene cages Cn, CnH, CnHn and CnHn+1: n=20, 40, 58, 60

El-Barbary, A.A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

10

The idiosyncrasies of (BBIM-alkane)DB30C10 MIMs

Ghosh, Sabari, Chaudhuri, Tandrima, Padmanaban, E., Mukhopadhyay, Chhanda

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 3.00 MB

english, 2015

11

Two unprecedented aromatic guanidines supramolecular chains self-assembled by hydrogen bonding interaction

Zhang, Yunshen, Huang, Yichao, Zhang, Jiangwei, Zhu, Li, Chen, Kun, Hao, Jian

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

12

Infrared and Raman spectroscopic characterization of the carbonate bearing silicate mineral aerinite – Implications for the molecular structure

Frost, Ray L., Scholz, Ricardo, López, Andrés

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.09 MB

english, 2015

13

Studies on the synthesis, structural characterization, Hirshfeld analysis and stability of apovincamine (API) and its co-crystal (terephthalic acid: Apovincamine=1:2)

Ma, Yu-heng, Ge, Shu-wang, Wang, Wei, Sun, Bai-wang

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 3.05 MB

english, 2015

14

Synthesis, characterization and antimicrobial studies of Schiff base complexes

Zafar, Hina, Ahmad, Anis, Khan, Asad U., Khan, Tahir Ali

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.96 MB

english, 2015

15

A comparison of excited state properties between two different N-heterocyclic platinum(II) complexes

Yang, Baozhu, Huang, Shuang, Zhong, Jing, Zhang, Hongxing

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

16

Spectroscopic characterization and molecular modeling of novel palladium(II) complexes with carbazates and hydrazides

Sousa, L.M., Corbi, P.P., Formiga, A.L.B., Lancellotti, Marcelo, Marzano, I.M., Pereira-Maia, E.C., Von Poelhsitz, G., Guerra, W.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.15 MB

english, 2015

17

Synthesis, spectral and chemical reactivity analysis of 2,4-dinitrophenyl hydrazone having pyrrole moiety

Rawat, Poonam, Singh, R.N.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

18

Crystal structure and activities of three biscoumarin derivatives against Staphylococcus aureus

Li, Fen, Lv, Chang-wei, Zhang, Zi-dan, Li, Jing, Hou, Zheng, Yang, Xiao-hui, Li, Jiang-tao, Luo, Xiao-xing, Li, Ming-kai

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

19

Crystallography and computational electronic structure investigations on 14-(3, 4, 5-trimethoxyphenyl)-14H-dibenzo[a,j]xanthene

Anandhan, Karnambaram, Susai Boobalan, Maria, Venkatesan, Perumal, Ilangovan, Andivelu, Kaushik, Mahabir Prasad, Arunagiri, Chidambaram

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 4.64 MB

english, 2015

20

Structural analysis of zeolite beta through periodic ab initio simulations of XRD and

Costa, Deyse G., Capaz, Rodrigo B.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 604 KB

english, 2015

21

Quantum mechanics study of repulsive π–π interaction and flexibility of phenyl moiety in the iron azodioxide complex

Liu, Yuemin, Liu, Yucheng, Murru, Siva, Tzeng, Nianfeng, Srivastava, Radhey S.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 848 KB

english, 2015

22

Crystal structure refinement, dielectric and magnetic properties of Sm modified BiFeO3 multiferroic

Godara, Priyanka, Agarwal, Ashish, Ahlawat, Neetu, Sanghi, Sujata

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.87 MB

english, 2015

23

H–D exchange in metal carbene complexes: Structure of cluster (μ-H)(μ-OCD3)Os3(CO)9{:C(CD3)NC2H8O}

Savkov, Boris, Maksakov, Vladimir, Kuratieva, Natalia

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 697 KB

english, 2015

24

Spectroscopic characterization and density functional studies of (Z)-1-[(2-methoxy-5-(trifluoromethyl)phenylamino)methylene]naphthalene-2(1H)-one

Alpaslan, Yelda Bingöl, Gökce, Halil, Alpaslan, Gökhan, Macit, Mustafa

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.40 MB

english, 2015

25

Characterization and comparison of perezone with some analogues. Experimental and theoretical study

Escobedo-González, Rene Gerardo, Bahena, Luis, Arias Tellez, José Luis, Hinojosa Torres, Jaime, Ruvalcaba, Rene Miranda, Aceves-Hernández, Juan Manuel

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.24 MB

english, 2015

26

Constrained nucleoside analogues – Crystal and molecular structure of 6,5′-O-anhydrouridines fixed in the anti conformation

Gajda, Roman, Bagiński, Maciej, Tomczyk, Ewelina, Mieczkowski, Adam, Woźniak, Krzysztof

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.53 MB

english, 2015

27

[6]Helicene as a novel molecular tweezer for the univalent silver cation: Experimental and theoretical study

Klepetářová, Blanka, Makrlík, Emanuel, Dytrtová, Jana Jaklová, Böhm, Stanislav, Vaňura, Petr, Storch, Jan

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.43 MB

english, 2015

28

Dimer formation of perylene: An ultracold spectroscopic and computational study

Birer, Ö., Yurtsever, E.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.73 MB

english, 2015

29

Fluorescence properties of Sm3+ ions in yttrium aluminum borate phosphors for optical applications

Jamalaiah, Bungala Chinna, Rasool, Shaik Nayab

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.96 MB

english, 2015

30

Synthesis, structural characterization and reactivity of a bis(phosphine)(silyl) platinum(II) complex

Li, Yong-Hua, Yang, Cheng-Long, Lai, Wen-Yong, Huang, Zheng-Feng, Wang, Shi, Wang, Lian-Hui, Huang, Wei

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 564 KB

english, 2015

31

Photoluminescent mixed ligand complexes of CuX (X=Cl, Br, I) with PPh3 and a polydentate imino-pyridyl ligand – Syntheses, structural variations and catalytic property

Ghorai, Anupam, Mondal, Jahangir, Patra, Goutam K.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

32

Announcement

Journal:

Journal of Molecular Structure

Year:

2015

File:

PDF, 188 KB

2015

33

Editorial board

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 28 KB

english, 2015