Volume 1049

Journal of Molecular Structure

Volume 1049

1

Quinazolin-4-yl-sulfanylacetyl-hydrazone derivatives; Synthesis, molecular structure and electronic properties

Hagar, Mohamed, Soliman, Saied M., Ibid, Farahate, El Ashry, El Sayed H.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

2

Eight salts constructed from 4-phenylthiazol-2-amine and carboxylic acid derivatives through combination of strong hydrogen bonding and weak noncovalent interactions

Jin, Shouwen, Zhu, Qiaowang, Wei, ShuaiShuai, Wang, Daqi

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

3

Preparation, crystal structure, vibrational spectral and density functional studies of bis (4-nitrophenol)-2,4,6-triamino-1,3,5-triazine monohydrate

Kanagathara, N., Marchewka, M.K., Drozd, M., Renganathan, N.G., Gunasekaran, S., Anbalagan, G.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.38 MB

english, 2013

4

Synthesis, crystal structure and spectral properties of 6-bromo-N-(cyclohex-1-en-1-ylmethyl)-4-oxo-4H-chromene-2-carboxamide

Cagide, Fernando, Borges, Fernanda, Gomes, Ligia Rebelo, Low, John Nicolson

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 963 KB

english, 2013

5

Investigation of complex formation between hydroxyapatite and fragments of collagen by NMR spectroscopy and quantum-chemical modeling

Aminova, R.M., Galiullina, L.F., Silkin, N.I., Ulmetov, A.R., Klochkov, V.V., Aganov, A.V.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

6

A silver complex with ibuprofen: Synthesis, solid state characterization, DFT calculations and antibacterial assays

Silva, Irlene Maria Pereira e, Profirio, Daniel de Moraes, de Paiva, Raphael Enoque Ferraz, Lancellotti, Marcelo, Formiga, André Luiz Barboza, Corbi, Pedro Paulo

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 891 KB

english, 2013

7

Experimental and theoretical study of substituent effect on 13C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones

Rančić, Milica P., Trišović, Nemanja P., Milčić, Miloš K., Ajaj, Ismail A., Marinković, Aleksandar D.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 549 KB

english, 2013

8

Synthesis, characterization and cholinesterase enzymes inhibitory activity of 1-[3-methyl-5-(2,6,6-trimethyl-cyclohex-1-enyl)-4,5-dihydro-pyrazol-1-yl]-ethanone

Mehdi, Sayed Hasan, Ghalib, Raza Murad, Hashim, Rokiah, da Silva, M. Fátima C. Guedes, Sulaiman, Othman, Murugaiyah, Vikneswaran, Marimuthu, Mani Maran, Naqvi, Mehnaz

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

9

Synthesis, crystal structure and in vitro antibacterial activity of 2,3a,8b-trihydroxy-3-(thiophen-2-ylcarbonyl)-2-(trifluoromethyl)-2,3,3a,8b-tetrahydro-4H-indeno[1,2-b]furan-4-one

Obafemi, Craig A., Adelani, Pius O., Fadare, Olatomide A., Akinpelu, David A., Famuyiwa, Samson O.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.50 MB

english, 2013

10

Influence of CdO and gamma irradiation on the infrared absorption spectra of borosilicate glass

Kaur, Ravneet, Singh, Surinder, Pandey, O.P.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 789 KB

english, 2013

11

Synthesis, spectroscopic and structural evaluation of ethyl 2-cyano-3-{5-[(4-nitro-benzoyl)-hydrazonomethyl]-1H-pyrrol-2-yl}-acrylate using experimental and theoretical approaches

Singh, R.N., Kumar, Amit, Rawat, Poonam, Srivastsva, Anchal

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

12

Networks of intermolecular interactions involving nitro groups in the crystals of three polymorphs of 9-aminoacridinium 2,4-dinitrobenzoate⋅2,4-dinitrobenzoic acid

Sikorski, Artur, Trzybiński, Damian

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 3.66 MB

english, 2013

13

X-ray, NMR and DFT studies on benzo[h]thiazolo[2,3-b]quinazoline derivatives

Gupta, Richa, Chaudhary, R.P.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

14

Synthesis and spectroscopic studies of some chromium and molybdenum derivatives of bis-(acetylacetone)ethylenediimine ligand

Ramadan, Ramadan M., Abdel-Rahman, Laila H., Ismael, Mohamed, Youssef, Teraze A., Ali, Saadia A.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 946 KB

english, 2013

15

Vibrational spectra, theoretical calculations, and structures for 1,3-disilacyclopent-4-ene and 1,3-disilacyclopentane and their tetrachloro derivatives

Chun, Hye Jin, Colegrove, Lloyd F., Laane, Jaan

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.04 MB

english, 2013

16

Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method

Karakaş Sarıkaya, E., Dereli, Ö., Erdoğdu, Y., Güllüoğlu, M.T.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 847 KB

english, 2013

17

Investigation of the azo-hydrazone tautomeric equilibrium in an azo dye involving the naphthalene moiety by UV–vis spectroscopy and quantum chemistry

Ünal, Arslan, Eren, Bilge, Eren, Erdal

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.38 MB

english, 2013

18

Synthesis and X-ray structure of nickel(II) benzylpiperazine-dithiocarbamate complex [Ni(bpdtc)(PPh3)2]ClO4·PPh3

Trávníček, Zdeněk, Štarha, Pavel, Pastorek, Richard

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 725 KB

english, 2013

19

Studies on vibrational, NMR spectra and quantum chemical calculations of N-Succinopyridine: An organic nonlinear optical material

Kannan, V., Thirupugalmani, K., Brahadeeswaran, S.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.27 MB

english, 2013

20

Three novel compounds of 5-trifluoromethoxy-1H-indole-2,3-dione 3-thiosemicarbazone: Synthesis, crystal structures and molecular interactions

Kaynak, Filiz Betül, Özbey, Süheyla, Karalı, Nilgün

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

21

pH-dependent structure and photochromic properties of phosphomolybdic acid/polyacrylamide composite films

Chen, Jie, Dong, Li-li, Feng, Wei, Liu, Su-Ling, Liu, Jing, Yang, Feng-Lin

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

22

Hydrothermal synthesis, X-ray structure refinement, 31P NMR spectra and vibrational study of NaLa(HPO4)2

Ben Hassen, C., Boujelbene, M., Mhiri, T.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.01 MB

english, 2013

23

Synthesis, spectral, antitumor and antimicrobial studies on Cu(II) complexes of purine and triazole Schiff base derivatives

Amer, Said, El-Wakiel, Nadia, El-Ghamry, Hoda

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

24

Infrared spectral evolution, elastic, optical and thermodynamic properties study on mechanically milled Ni0.5Zn0.5Fe2O4 spinel ferrite

Modi, K.B., Shah, S.J., Pujara, N.B., Pathak, T.K., Vasoya, N.H., Jhala, I.G.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

25

Synthesis and mesomorphic behaviour of achiral four-ring unsymmetrical bent-core liquid crystals: Nematic phases

Paul, Manoj Kumar, Kalita, Gayatri, Laskar, Atiqur Rahman, Debnath, Somen, Gude, Venkatesh, Sarkar, Dipika Debnath, Mohiuddin, Golam, Varshney, Sanjay Kumar, Nandiraju Rao, V.S.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

26

Synthesis, Infra-red, CP/MAS-NMR characterization, structural study and electrical properties of the bis(4-amino-2-chloropyridinium) tetrachlorozincate (II) monohydrate

Karâa, Najla, Hamdi, Besma, Ben Salah, Abdelhamid, Zouari, Ridha

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 3.18 MB

english, 2013

27

Supramolecular organization in lead(II) halides of 4,4′-dimethoxy-2,2′-bipyridine ligand

Marandi, Farzin, Garousi, Elham, Fun, Hoong-Kun

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.41 MB

english, 2013

28

Microwave, infrared, and Raman spectra, structural parameters, vibrational assignments and theoretical calculations of 1,3-disilacyclopentane

Guirgis, Gamil A., Klaassen, Joshua J., Pate, Brooks H., Seifert, Nathan A., Darkhalil, Ikhlas D., Deodhar, Bhushan S., Wyatt, Justin K., Dukes, Horace W., Kruger, Michael, Durig, James R.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 678 KB

english, 2013

29

Quantum chemical and experimental study of 1,2,4-trihydroxy-para-menthane

Rottmannová, Lenka, Lukeš, Vladimír, Ilčin, Michal, Fodran, Peter, Herich, Peter, Kožíšek, Jozef, Liptaj, Tibor, Klein, Erik

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 558 KB

english, 2013

30

Molecular and vibrational structure of thiosulfonate S-esters

Luu, Thi Xuan Thi, Duus, Fritz, Spanget-Larsen, Jens

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

31

The meloxicam complexes of Co(II) and Zn(II): Synthesis, crystal structures, photocleavage and in vitro DNA-binding

Sanatkar, Tahereh Hosseinzadeh, Hadadzadeh, Hassan, Simpson, Jim, Jannesari, Zahra

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.26 MB

english, 2013

32

Tautomers of 2-aminothiazole molecules in aqueous solutions explored by Raman, SERS and DFT methods

Chen, Xue, Hu, Yongjun, Gao, Jiao

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.01 MB

english, 2013

33

Aromatic aldehyde-catalyzed gas-phase decarboxylation of amino acid anion via imine intermediate: An experimental and theoretical study

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

34

Investigation of thermal denaturation of solid bovine serum albumin by terahertz dielectric spectroscopy

Li, Xiangjun, Fu, Xiuhua, Liu, Jianjun, Du, Yong, Hong, Zhi

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 501 KB

english, 2013

35

Solution structures of Alzheimer’s amyloid Aβ13–23 peptide: NMR studies in solution and in SDS

Usachev, K.S., Filippov, A.V., Filippova, E.A., Antzutkin, O.N., Klochkov, V.V.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.65 MB

english, 2013

36

Hydrothermal temperature as a morphological control factor: Preparation, characterization and photocatalytic activity of titanate nanotubes and nanoribbons

Thennarasu, S., Rajasekar, K., Balkis Ameen, K.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 3.99 MB

english, 2013

37

Molecular structures and antiproliferative activity of side-chain saturated and homologated analogs of 2-chloro-3-(n-alkylamino)-1,4-napthoquinone

Pal, Sanjima, Jadhav, Mahesh, Weyhermüller, Thomas, Patil, Yogesh, Nethaji, M., Kasabe, Umesh, Kathawate, Laxmi, Konkimalla, V. Badireenath, Salunke-Gawali, Sunita

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 769 KB

english, 2013

38

Effect of deuteration: A new isotopic polymorph of glycine silver nitrate

Chitra, R., Choudhury, R.R., Capet, Frederic, Roussel, Pascal, Bhatt, Himal

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

39

A fundamental supply to the Lattice Compatibility Theory LCT: Ruthenium-doped Bi12SiO20 molecular structure behavior under UV exposure

Boubaker, Karem, Petkova, Petya

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

40

Acetylene associates (C2H2)n (n=2–4). IR-spectra in argon matrixes and quantum-chemical calculations

Golovkin, A.V., Davlyatshin, D.I., Serebrennikova, A.L., Serebrennikov, L.V.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

41

Structure-directed functional properties of symmetrical and unsymmetrical Br-substituted Schiff-bases

Marin, Luminita, Harabagiu, Valeria, Lee, Arie van der, Arvinte, Adina, Barboiu, Mihail

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.70 MB

english, 2013

42

Tautomerism of a thiabendazole fungicide on Ag and Au nanoparticles investigated by Raman spectroscopy and density functional theory calculations

Singh, Dheeraj K., Ganbold, Erdene-Ochir, Cho, Eun-Min, Lee, Cheol Min, Yang, Sung Ik, Joo, Sang-Woo

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

43

A combined pharmacophore modeling, 3D-QSAR and molecular docking study of substituted bicyclo-[3.3.0]oct-2-enes as liver receptor homolog-1 (LRH-1) agonists

Lalit, Manisha, Gangwal, Rahul P., Dhoke, Gaurao V., Damre, Mangesh V., Khandelwal, Kanchan, Sangamwar, Abhay T.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.66 MB

english, 2013

44

A 2D hydrogen-bonded supramolecular framework based on acyclic water tetramer clusters and tetraprotonated triethylenetetramine molecules templated by molybdenum(V) phosphates

Zhou, Yunshan, Hassan, Sadaf ul, Zhang, Lijuan, Li, Xianqi, Ahmad, Waqar

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.70 MB

english, 2013

45

Preparation, characterization, spectroscopic (FT-IR, FT-Raman, UV and visible) studies, optical properties and Kubo gap analysis of In2O3 thin films

Jothibas, M., Manoharan, C., Ramalingam, S., Dhanapandian, S., Johnson Jeyakumar, S., Bououdina, M.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 2.96 MB

english, 2013

46

Editorial board

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 27 KB

english, 2013

47

Stereoregularity evolution of isobornyl acrylate and styrene copolymers by 2D NMR spectroscopy

Khandelwal, Deepika, Hooda, Sunita, Brar, A.S., Shankar, Ravi

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 3.12 MB

english, 2013

48

3-Pyridylmethanol vs. N,N′-diethylnicotinamide in copper(II) complex formation – A comparative EPR study

Husáriková, L., Repická, Z., Valigura, D., Valko, M., Mazúr, M.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 677 KB

english, 2013

49

Utility of FT-IR imaging spectroscopy in estimating differences between the quality of bovine blastocysts

Wiecheć, A., Opiela, J., Lipiec, E., Kwiatek, W.M.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.42 MB

english, 2013

50

A metal–organic coordination nanotube based on Co4-TC4A subunits and V-shaped aromatic dicarboxylic acids

Liu, Mei, Du, Shangchao, Liao, Wuping

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

51

Helical metal cage of silver(I) and mercury(II)-N-heterocyclic carbene complexes of 1,4-phenylene-bis{imidazo[1,5-a]pyridine-4-iumhexaflurophosphate}

Rana, Bidyut Kumar, Bertolasi, Valerio, Pal, Satyanarayan, Mitra, Partha, Dinda, Joydev

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 644 KB

english, 2013

52

Synthesis and characterization of p-benzophenoneoxycarbonylphenyl acrylate by means of experimental measurements and theoretical approaches, and bulk melt polymerization

Soykan, U., Cetin, S., Ozturk, B., Karaboga, F., Zalaoglu, Y., Dogruer, M., Yildirim, G., Terzioglu, C.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

53

Synthesis, crystal structure, optical properties and theoretical calculations of a new potassium lead pentaborate, KPbB5O9

Zhou, Lin, Pan, Shilie, Su, Xin, Yang, Zhihua, Wu, Hongping, Yu, Hongwei, Zhang, Fangfang, Cui, Sifang, Zhou, Zhongxiang

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

54

Hydrothermal synthesis, growth, and properties of a new chloride iodate

Zhao, Wenwu, Pan, Shilie, Dong, Lingyun, Yang, Zhihua, Dong, Xiaoyu, Chen, Zhaohui, Zhang, Min, Zhang, Fangfang

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

55

Absorption spectroscopic studies on gamma irradiated bismuth borosilicate glasses

Kaur, Ravneet, Singh, Surinder, Pandey, O.P.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 762 KB

english, 2013

56

Two new phenylpropanoid glycosides with interesterification from Scrophularia dentata Royle ex Benth

Zhang, Liuqiang, Yang, Zhuo, Jia, Qi, Dorje, Gaawe, Zhao, Zhili, Guo, Fujiang, Li, Yiming

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 794 KB

english, 2013

57

Phosphorus–nitrogen compounds: Part 28. Syntheses, structural characterizations, antimicrobial and cytotoxic activities, and DNA interactions of new phosphazenes bearing vanillinato and pendant ferrocenyl groups

Tümer, Yasemin, Asmafiliz, Nuran, Kılıç, Zeynel, Hökelek, Tuncer, Yasemin Koç, L., Açık, Leyla, Yola, Mehmet Lütfi, Solak, Ali Osman, Öner, Yağmur, Dündar, Devrim, Yavuz, Makbule

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.63 MB

english, 2013

58

Complexes of acetylene–fluoroform: A matrix isolation and computational study

Sundararajan, K., Ramanathan, N., Viswanathan, K.S., Vidya, K., Jemmis, Eluvathingal D.

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 804 KB

english, 2013

59

Contents Continued

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 34 KB

english, 2013

60

Crystal structure and anomalous chemical shift of 10-(prop-1-yn-1-yl)-10H-phenothiazine 5,5-dioxide: Intramolecular S⋯N transannular effect

Umezono, Satoru, Okuno, Tsunehisa

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 824 KB

english, 2013

61

Structural, electronic and charge transfer studies of dianthra[2,3-b:2′,3′-f]thieno[3,2-b]thiophene and its analogues: Quantum chemical investigations

Irfan, Ahmad, Al-Sehemi, Abdullah G., Kalam, Abul

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.72 MB

english, 2013

62

Investigation of local symmetry in LiH3(SeO3)2 single crystals by 1H and 7Li nuclear magnetic resonance

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 980 KB

english, 2013

63

Synthesis, characterization and influence of electrolyte solutions on electrical properties of organic–inorganic composite membrane

Ishrat, Urfi, Rafiuddin,

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

64

A novel 2D chiral silver(I) coordination polymer assembled from 5-sulfosalicylic acid and (2S,4R)-4-hydroxyproline: Synthesis, crystal structure, HOMO–LUMO and NBO analysis

Zorlu, Yunus, Can, Hatice, Aksakal, Fatma

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 3.09 MB

english, 2013

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