Volume 1113

Journal of Molecular Structure

Volume 1113

1

DFT studies of calcium(II), strontium(II) and barium(II) benzoates with N,N,N′,N′-Tetrakis(2-hydroxyethyl/propyl)ethylenediamine

Obrai, Sangeeta, Kumar, Rakesh, Goyal, Milli, Kaushal, Svati

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.15 MB

english, 2016

2

Novel Cobalt(II) complexes containing N,N-di(2-picolyl)amine based ligands; Synthesis, characterization and application towards methyl methacrylate polymerisation

Ahn, Seoung Hyun, Choi, Sang-Il, Jung, Maeng Joon, Nayab, Saira, Lee, Hyosun

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

3

Vibrational spectra and molecular dynamics of hydrogen peroxide molecules at quartz/water interfaces

Lv, Ye-qing, Zheng, Shi-li, Wang, Shao-na, Yan, Wen-yi, Zhang, Yi, Du, Hao

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.73 MB

english, 2016

4

Photocatalytic degradation of methylene blue dye and magneto-optical studies of magnetically recyclable spinel NixMn1-xFe2O4 (x = 0.0–1.0) nanoparticles

Mathubala, G., Manikandan, A., Arul Antony, S., Ramar, P.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.45 MB

english, 2016

5

Understanding the symmetric line shape in the 17O MAS spectra for hexagonal ice

Yamada, Kazuhiko, Oki, Shinobu, Deguchi, Kenzo, Shimizu, Tadashi

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 453 KB

english, 2016

6

DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-N-(3,4,5-trimethoxyphenyl) acetamide

El-Azab, Adel S., Sheena Mary, Y., Yohannan Panicker, C., Abdel-Aziz, Alaa A.-M., El-Sherbeny, Magda A., Van Alsenoy, C.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.22 MB

english, 2016

7

Synthesis, structural characterization, modal membrane interaction and anti-tumor cell line studies of nitrophenyl ferrocenes

Altaf, Ataf Ali, Lal, Bhajan, Badshah, Amin, Usman, Muhammad, Chatterjee, Pabitra B., Huq, Fazlul, Ullah, Shafiq, Crans, Debbie C.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.16 MB

english, 2016

8

Synthesis and characterization of 1-(hydroxyethyl)-3-methylimidazolium sulfate and chloride ionic liquids

Chaker, Yassine, Ilikti, Hocine, Debdab, Mansour, Moumene, Taqiyeddine, Belarbi, El Habib, Wadouachi, Anne, Abbas, Ouissam, Khelifa, Brahim, Bresson, Serge

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.68 MB

english, 2016

9

Theoretical approach to the conformational analyses of dithiazinane, thiadiazinane and triazinane, their N-borane adducts and N–H cations

Suárez-Moreno, Galdina V., Xotlanihua-Flores, Alfonso, Vela, Alberto, Contreras, Rosalinda, Flores-Parra, Angelina

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 2.75 MB

english, 2016

10

Nuclear Magnetic Resonance (NMR), Infrared (IR) and Mass Spectrometry (MS) study of keto-enol tautomerism of isobenzofuran-1(3H)-one derivatives

Pires, Diego Arantes Teixeira, Pereira, Wagner Luiz, Teixeira, Róbson Ricardo, Figueroa-Villar, José Daniel, Nascimento, Claudia Jorge do

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 1.71 MB

english, 2016

11

Variable temperature 1H and 13C NMR study of restricted rotation in N,N-bis(2-hydroxyethyl)acetamide

Aitken, R. Alan, Smith, Melanja H., Wilson, Heather S.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 620 KB

english, 2016

12

Solvato-polymorph of [(η6-C6H6)RuCl (L)]PF6 (L = (2,6-dimethyl-phenyl-pyridin-2-yl methylene amine)

Gichumbi, Joel M., Friedrich, Holger B., Omondi, Bernard

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 997 KB

english, 2016

13

Corrigendum to “The importance of suppressing spin diffusion effects in the accurate determination of the spatial structure of a flexible molecule by nuclear Overhauser effect spectroscopy” [J. Mol. Struct. 1106 (2016) 373–381]

Khodov, I.A., Efimov, S.V., Kiselev, M.G., Batista de Carvalho, L.A.E., Klochkov, V.V.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 188 KB

english, 2016

14

Editorial Board

Journal:

Journal of Molecular Structure

Year:

2016

File:

PDF, 80 KB

2016

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