Volume 1093

Journal of Molecular Structure

Volume 1093

1

Experimental and theoretical investigation of a novel mononuclear copper(II) azido compound with tridentate (NNO) Schiff base

Karahan, Ahmet, Karabulut, Sedat, Dal, Hakan, Kurtaran, Raif, Leszczynski, Jerzy

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 691 KB

english, 2015

2

Mass spectrometry and theoretical calculations about the loss of methyl radical from methoxilated coumarins

Borkowski, Eduardo J., Cecati, Francisco M., Suvire, Fernando D., Ruiz, Diego M., Ardanaz, Carlos E., Romanelli, Gustavo P., Enriz, Ricardo D.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.56 MB

english, 2015

3

Cesium and cobalt adsorption on synthetic nano manganese oxide: A two dimensional infra-red correlation spectroscopic investigation

Al Lafi, Abdul G., Al Abdullah, Jamal

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.69 MB

english, 2015

4

Naphthoquinone based chemosensor 2-(2′-aminomethylpyridine)-3-chloro-1,4-naphthoquinone for metal ions: Single crystal X-ray structure, experimental and TD-DFT study

Ware, Anuja P., Patil, Amit, Khomane, Sonali, Weyhermüller, Thomas, Pingale, Subhash S., Salunke-Gawali, Sunita

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.12 MB

english, 2015

5

Sparfloxacin charge transfer complexes with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and tetracyanoquinodimethane: Molecular structures, spectral, and DFT studies

Shehab, Ola R., Mansour, Ahmed M.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.75 MB

english, 2015

6

Spectroscopic and structural studies of new mononucleating tetradentate Schiff base metal chelates derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and 1,3-diaminopropane

Adly, Omima M.I., Taha, Ali, Fahmy, Shery A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 936 KB

english, 2015

7

Aerobic synthetic approach and characterisation of some acetylide–thiourea derivatives for the detection of carbon monoxide (CO) gas

Daud, Adibah Izzati, Khairul, Wan M., Mohamed Zuki, Hafiza, Kubulat, K.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 669 KB

english, 2015

8

Structural features of lignohumic acids

Novák, František, Šestauberová, Martina, Hrabal, Richard

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.71 MB

english, 2015

9

Luminescence and spectroscopic properties of ZnF2–MO–TeO2 glasses doped with Ho3+ ions

Laxmikanth, C., Anjaiah, J., Venkateswara Rao, P., Appa Rao, B., Veeraiah, N.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

10

The trans–cis and the azide–tetrazole ring-chain isomerization of 2-azido-1,3-azoles: Quantum chemical study

Karakus, Nihat, Demirel, Merdan

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.38 MB

english, 2015

11

Structure of seven organic salts assembled from 2,6-diaminopyridine with monocarboxylic acids, dicarboxylic acids, and tetracarboxylic acids

Gao, Xingjun, Zhang, Huan, Wen, Xianhong, Liu, Bin, Jin, Shouwen, Wang, Daqi

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 998 KB

english, 2015

12

Synthesis, crystal structure, antibacterial activity and theoretical studies on a novel mononuclear cobalt(II) complex based on 2,4,6-tris(2-pyridyl)-1,3,5-triazine ligand

Maghami, Mahboobeh, Farzaneh, Faezeh, Simpson, Jim, Ghiasi, Mina, Azarkish, Mohammad

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.67 MB

english, 2015

13

Intramolecular interactions contributing for the conformational preference of bioactive diphenhydramine: Manifestation of the gauche effect

de Rezende, Fátima M.P., Andrade, Laize A.F., Freitas, Matheus P.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 613 KB

english, 2015

14

Trans-dichlorotetrakis(1H-pyrazole-κN2)copper(II): Synthesis, crystal structure, hydrogen bonding graph-sets, vibrational and DFT studies

Direm, Amani, Tursun, Mahir, Parlak, Cemal, Benali-Cherif, Nourredine

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.35 MB

english, 2015

15

Herringbone structures of 2,7-dihalogenated acridine tailored by halogen–halogen interactions

Yamamura, Masaki, Ikuma, Seira, Nabeshima, Tatsuya

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.69 MB

english, 2015

16

Synthesis, characterization and stereochemistry of N-acyl-r-2,c-4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonanes

Akila, A., Ponnuswamy, S., Shreevidhyaa Suressh, V., Usha, G.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

17

Synthesis, crystal structure and electrochemical and DNA binding studies of oxygen bridged-copper(II) carboxylate

Iqbal, Muhammad, Ali, Saqib, Tahir, Muhammad Nawaz, Muhammad, Niaz, Shah, Naseer Ali, Sohail, Manzar, Pandarinathan, Vedapriya

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

18

Template engineered biopotent macrocyclic complexes involving furan moiety: Molecular modeling and molecular docking

Rathi, Parveen, Singh, D.P.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

19

Investigation of two-photon absorption properties in new A–D–A compounds emitting blue and yellow fluorescence

Jin, Fan, Cai, Zhi-Bin, Huang, Jiu-Qiang, Li, Sheng-Li, Tian, Yu-Peng

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.17 MB

english, 2015

20

Proton induced tautomeric switching in N-rich aromatics with tunable acid-base character

Centore, Roberto, Manfredi, Carla, Fusco, Sandra, Maglione, Cira, Carella, Antonio, Capobianco, Amedeo, Peluso, Andrea, Colonna, Daniele, Di Carlo, Aldo

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

21

Spectroscopic and quantum chemical analysis of a natural product – Hayatin hydrochloride

Mishra, Rashmi, Srivastava, Anubha, Tandon, Poonam, Jain, Sudha

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.13 MB

english, 2015

22

Reconsidering the activation entropy for anomerization of glucose and mannose in water studied by NMR spectroscopy

Kosaka, Ami, Aida, Misako, Katsumoto, Yukiteru

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 724 KB

english, 2015

23

Intermolecular interaction of thiosemicarbazone derivatives to solvents and a potential Aedes aegypti target

da Silva, João Bosco P., Hallwass, Fernando, da Silva, Aluizio G., Moreira, Diogo Rodrigo, Ramos, Mozart N., Espíndola, José Wanderlan P., de Oliveira, Ana Daura T., Brondani, Dalci José, Leite, Ana C

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.63 MB

english, 2015

24

Cobalt(II) metal–organic framework micro-nanoparticles: Molecular self-assembly from layers to micropores showing the conjunctive orientation of carboxyl groups

Ye, Jing, Li, Xiaoqi, Xu, Zhen-liang, Xu, Haitao

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

25

A study of the solvent dependence of the structures and the vibrational, 1H and 13C NMR spectra of l- and dl-mandelic acid and l- and dl-3-phenyllactic acid

Badawi, Hassan M., Förner, Wolfgang, Ali, Shaikh A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

26

Formation of sandwich structure through ion adsorption at the mineral and humic interfaces: A combined experimental computational study

Gao, Xiaodan, Yang, Gang, Tian, Rui, Ding, Wuquan, Hu, Feinan, Liu, Xinmin, Li, Hang

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.02 MB

english, 2015

27

Dissociation, absorption and ionization of some important sulfur oxoanions (S2On2− n=2, 3, 4, 6, 7 and 8)

Abedi, M., Farrokhpour, H., Farnia, S., Chermahini, A. Najafi

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.35 MB

english, 2015

28

Crystalline TQPP as p-type semiconductor: X-ray crystallographic investigation, OTFT device, and computational analysis of transport properties

Wex, Brigitte, El-Ballouli, Ala’a O., Vanvooren, Antoine, Zschieschang, Ute, Klauk, Hagen, Krause, Jeanette A., Cornil, Jérôme, Kaafarani, Bilal R.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

29

Conformations of the semifluorinated n-alkane H–(CF2)8–H investigated using Fourier transform microwave spectroscopy and quantum chemical calculations

Wu, Weixin, Long, B.E., Cooke, S.A.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 534 KB

english, 2015

30

Editorial board

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 28 KB

english, 2015