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An efficient synthesis of novel triazoles incorporating barbituric motifs via [3+2] cycloaddition reactions: An experimental and theoretical study

Mahdieh Darroudi, Yaghoub Sarrafi, Mahshid Hamzehloueian

821-835

Theoretical study via DFT for prediction of 13C and 1H NMR data of two diterpenoids derived from the root of Salvia grandifolia (Short communication)

Renato Araújo da Costa, Sebastião Gomes Silva, Silvana de Oliveira Silva, Jorddy Neves Cruz, Wanessa Almeida da Costa, Luciane do Socorro Nunes dos Santos Brasil, Rai Campos Silva, Cleydson Breno Rodrigues Santos, Cláudio Nahum Alves, Davi do Socorro Barros Brasil

591-598

Solubility and degradation of paracetamol in subcritical water

Zuhal Emire, Erdal Yabalak, Özkan Görmez, Ahmet Murat Gizir

99-106

Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: a combined experimental and theoretical study

Ivana S Djordjević, Jelena Vukašinović, Tamara R Todorović, Nenad R Filipović, Marko V Rodić, Aleksandar Lolić, Gustavo Portalone, Mario Zlatović, Sonja Grubišić

825-839

Solvatochromism of isatin based Schiff bases: LSER and LFER study

Dominik Brkić, Aleksandra Božić, Vesna D. Nikolić, Aleksandar Marinković, Hana Eshaflu, Jasmina Nikolic, Saša Drmanić

979-997

Synthesis, characterization and theoretical studies of novel pyrimidine derivatives as potential corrosion inhibitors

Esvet Akbas, Ela Yildiz, Ahmet Erdogan

481–492

Molecular design of orthogonal stacking system at the complex interface of HtrA PDZ domain with its peptide ligands

Dingwa Zhang, Deyong He, Xiaoliang Pan, Yaping Xu, Lijun Liu

1367-1379

Structural and electronic effects of cation binding (Li+, Na+, K+, Mg2+ and Ca2+) to the π system of the (ƞ6-benzene)–Cr(CO)3 complex: A theoretical study

Ayyavoo Kalpana, Lakshminarayanan Akilandeswari

1123-1134

Degradation, dephenolisation and dearomatisation of olive mill wastewater by subcritical water oxidation method using hydrogen peroxide: Application of multi-response central composite design

Erdal Yabalak, Özkan Görmez, Belgin Gözmen Sönmez

489-502

Application of the eco-friendly subcritical water oxidation method in the degradation of epichlorohydrin

Erdal Yabalak, İpek Topaloğlu, Ahmet Murat Gizir

757–767

Understanding the isomerization kinetics in the gas phase of a triazole-3-thione derivative: A theoretical approach (Short communication)

Zahra Kazeminejad, Abolfazl Shiroudi, Khalil Pourshamsian, Farhad Hatamjafari, Ahmad Reza Oliaey

975-989

Synthesis, characterization, thermal, theoretical and antimicrobial studies of Schiff base ligand and its Co(II) and Cu(II) complexes

Radha Venkittapuram Palaniswamy, Mahalakshmi Dhandapani, Jonekirubavathy Suyambulingam, Chitra Subramanian

215-225

Study of pyrolysis of high density polyethylene in the open system and estimation of its capability for co-pyrolysis with lignite

Ivan Kojić, Achim Bechtel, Friedrich Kittinger, Nikola Stevanović, Marko Obradović, Ksenija Stojanović

923-940

Synthesis, crystal structure and local anti-inflammatory activity of L-phenylalanine methyl ester derivative of dexamethasone-derived cortienic acid

Vladimir Dobričić, Bojana M Francuski, Vesna Jaćević, Marko V Rodić, Sote Vladimirov, Olivera Čudina, Djordje Francuski

1481-1488

Editorial

Stanka V. Jerosimić, Ivan Juranić, Branislav Nikolić

769-777

Theoretical investigation of the molecular structure and molecular docking of naratriptan

Wendolyne López-Orozco, Clara Hilda Rios-Reyes, Luis Humberto Mendoza-Huizar

1291–1301

Efficient structural and energetic screening of fullerene encapsulation in a large supramolecular double decker macrocycle

Fabian Bohle, Stefan Grimme

837-843

DFT study and NBO analysis of solvation/substituent effects of 3-phenylbenzo[d]thiazole-2(3H)-imine derivatives

Marzieh Miar, Abolfazl Shiroudi, Khalil Pourshasian, Ahmed Reza Oliaey, Farhad Hatamjafari

1445-1462

Zinc, copper and nickel complexes of a macrocycle synthesized from pyridinedicarboxylic acid: A spectroscopic, thermal and theoretical study

Esmaiel Soleimani, Sayed Ali Naghi Taheri, Mohsen Sargolzaei

665-680

Experimental and theoretical study on solvent and substituent effect in 3-(4-substituted)phenylamino)isobenzofuran-1(3H)-ones

Nevena Ž. Prlainović, Milica P. Rančić, Ivana Stoiljković, Jasmina B. Nikolic, Saša Ž. Drmanić, Ismail Ajaj, Aleksandar D. Marinković

139-155

QTAIM investigations of decorated graphyne and boron nitride for Li detection

Maryam Dehestani, Leila Zeidabadinejad, Sedigheh Pourestarabadi

289-301

A survey on the characterization and biological activity of isatin derivatives

Saša Drmanić, Predrag Petrović, Dominik Brkić, Aleksandar Marinković, Jasmina Nikolić

979-1000

Theoretical determination of the redox electrode potential of cyanidin

Mihaiela Andoni, Mihai Medeleanu, Mariana Ştefănuţ, Adina Căta, Ioana Ienaşcu, Cristian Tanasie, Raluca Oana Pop

177-186

Some nitrogen-rich heterocycles derivatives as potential explosives and propellants: A theoretical study

Dany Frem

687-695

DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol

Nuray Yildirim, Neslihan Demir, Gökhan Alpaslan, Bahadir Boyacioglu, Mustafa Yildiz, Huseyin Ünver

707-721

Synthesis and SAR studies of pyrazole-3-carboxamides and -3-carbonyl thioureides including chiral moiety: Novel candidates as antibacterial agents

Ishak Bildirici, Adnan Cetin, Nurettin Menges, Yusuf Alan

795-807

EUCHEMS NEWS - European Analytical Column No. 47

Slavica Ražić, Marcela A. Segundo, Günter Gauglitz

633-638

Vibronic and spin–orbit coupling effects in the absorption spectra of pyrazine: A quantum chemical approach

Fabian Dinkelbach, Christel Maria Marian

819-836

X-ray, Hirshfeld surface analysis, spectroscopic and DFT studies of PAHs: fluoranthene and acenaphthene

Wioleta Śmiszek-Lindert, Anna Michta, Aleksandra Tyl, Grzegorz Małecki, Elżbieta Chełmecka, Sławomir Maślanka

1489-1504

Novel trolox derivatives as antioxidant: A DFT investigation

Davood Farmanzadeh, Meysam Najafi

277-290

A DFT investigation of the Diels–Alder reaction of ethyl propiolate to the cage-annulated hexacyclo[7.5.2.01,6.06,13.08,12.010,14]hexadeca-2,4-diene-7,16-dione

Abdurrahman Atalay, Riza Abbasoglu

837-846

The reactivity of dopamine precursors and metabolites towards ABTS• –: An experimental and theoretical study

Dušan Dimić, Dejan Milenković, Zoran Markovic, Jasmina Dimitrić Marković

877-889

Stepwise or Concerted? DFT study on the mechanism of Ionic Diels Alder reaction of chromans

Mina Haghdadi, Soghra Mousavi, Hassan Ghasemnejad

67-80

A theoretical study on the regio- and stereoselectivity of [3+2] cycloddition of β-trifluoroacetyl vinyl ethyl ether with 3-oxo-1,2-pyrazolidinium ylides

Mina Haghdadi, Nasim Nab

285-303

Spectroscopic (FTIR, UV–Vis and NMR), theoretical investigation and molecular docking of substituted 1,8-dioxodecahydroacridine derivatives

Krishna Kant Yadav, Abhishek Kumar, Sanchari Begam, Khondekar Nurjamal, Amarendra Kumar, Goutam Brahmchari, Neeraj Misra

53-66

Theoretical study on the Diels–Alder reaction of bromo-substituted 2H-pyran-2-ones and some substituent vinyls

MINA HAGHDADI, HAMED AMANI, NASIM NAB

1139–1148

Dibutyltin(IV) formulations: Synthetic aspect, spectroscopic interpretation and computational calculation
Scientific paper

Suchitra Budania, Ankur M Kumar, Poonam Chand, Asha Jain

1041-1054

Theoretical and experimental prediction of corrosion inhibition efficiency of isatin and its derivatives by DFT calculations and weight loss method – A comparative study
Scientific paper

Jone Celestina Joseph Xavier Raj, Muthumanickam Shenbagapushpam, Arul Deepa Vincent, Priyadharsani Shanmugaraj, Chakkravarthy Raj, Satheesh Rajamohan, Ramasamy Raja Viruthachalam

23-37

Xylose dehydration to furfural using niobium doped δ-FeOOH as catalyst
Scientific paper

Paulo Tadashi Bannai Campos, Mariana de Rezende Bonesio, André Luiz Dias Lima, Adilson Cândido da Silva, Daiana Teixeira Mancini, Teodorico de Castro Ramalho de Castro Ramalho

395–408