Synthesis, growth, structural, spectroscopic, optical, thermal, DFT, HOMO–LUMO, MEP, NBO analysis and thermodynamic properties of vanillin isonicotinic hydrazide single crystal
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): M. Buvaneswari, R. Santhakumari, C. Usha, R. Jayasree, Suresh Sagadevan (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 22, 2021 Category: Molecular Biology Source Type: research
Novel push-pull based phenothiazine-benzothiazole derivatives integrated with molecular logic gate operation for reversible volatile acid detection
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Tanisha Sachdeva, Marilyn Daisy Milton (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 22, 2021 Category: Molecular Biology Source Type: research
A comparative investigation on the scavenging of 2,2-diphenyl-1-picrylhydrazyl radical by the natural antioxidants (+) catechin and (-) epicatechin
Publication date: 15 October 2021Source: Journal of Molecular Structure, Volume 1242Author(s): S. Anitha, S. Krishnan, K. Senthilkumar, V. Sasirekha (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 19, 2021 Category: Molecular Biology Source Type: research
l-Prolinium l-proline halogenides: a comparison of the respective chloride, bromide and iodide salts
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): A.M. Petrosyan, G. Giester, V.V. Ghazaryan, M. Fleck (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 19, 2021 Category: Molecular Biology Source Type: research
Quantum chemical modeling, synthesis, spectroscopic (FT-IR, excited States, UV–Vis) studies, FMO, QTAIM, NBO and NLO analyses of two new azo derivatives
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Erfu Huo, Siyamak Shahab, Sultan Al Saud, Weiqin Cheng, Peng Lu, Masoome Sheikhi, Radwan Alnajjar, Sadegh Kaviani (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 19, 2021 Category: Molecular Biology Source Type: research
Design and synthesis of C3-symmetric molecules containing oxepine and benzofuran moieties via Metathesis
Publication date: Available online 16 June 2021Source: Journal of Molecular StructureAuthor(s): Sambasivarao Kotha, Balaji.U. Solanke, Naveen Kumar Gupta (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
Biodiesel combustion. Kinetics and thermochemistry of H-atom abstraction from methyl propionate by Ö (3P) and O2H radicals: ab initio study
Publication date: Available online 16 June 2021Source: Journal of Molecular StructureAuthor(s): Mohamed A.M. Mahmoud (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
Vibrational study of the CS2H2O, CS2-(H2O)2, and (CS2)2H2O complexes isolated in solid neon. Highlighting the existence of two isomers for CS2H2O.
Publication date: 15 October 2021Source: Journal of Molecular Structure, Volume 1242Author(s): P. Soulard, B. Tremblay (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
Facile fabrication of surface molecularly imprinted magnetic polydopamine for selective adsorption of fluoroquinolone from aqueous solutions
Publication date: Available online 15 June 2021Source: Journal of Molecular StructureAuthor(s): Guyu Zhao, Xiao–kun Ouyang, Li-ye Yang, Mi-cong Jin (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
Design, synthesis, in vitro and in silico biological assays of new quinazolinone-2-thio-metronidazole derivatives
Publication date: Available online 15 June 2021Source: Journal of Molecular StructureAuthor(s): Samira Ansari, Maryam Mohammadi-Khanaposhtani, Mohammad Sadegh Asgari, Ensieh Nasli Esfahani, Mahmood Biglar, Bagher Larijani, Hossein Rastegar, Haleh Hamedifar, Mohammad Mahdavi, Recep Tas, Parham Taslimi (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
Thermal, microstructural, optical, magnetic and magnetocaloric studies for Ni0.5Mn0.5Cr2O4 chromite spinel prepared using sol-gel method
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Fakher Hcini, S. Hcini, Maha M. Almoneef, Mohamed Houcine Dhaou, Marzook S. Alshammari, A. Mallah, S. Zemni, N. Lefi, M.L. Bouazizi (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 16, 2021 Category: Molecular Biology Source Type: research
2-Amino-6-methylpyridine based Salt Converted to Carbon Electrode Material for Supercapacitive Application
Publication date: Available online 13 June 2021Source: Journal of Molecular StructureAuthor(s): Muhammad Azeem shakil, Khalid Mahmood, Ataf Ali Altaf, Muhammad Nawaz Tahir, Ajaz Hussain, Muhammad Khalid, Muhammad Tariq, Muhammad Islam, Muhammad Yaqub, Amin Badshah, Samia Kausar, Muhammad Zaheer (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 14, 2021 Category: Molecular Biology Source Type: research
New 4-thiazolidinone/quinoline-2-ones scaffold: Design, synthesis, docking studies and biological evaluation as potential urease inhibitors
Publication date: Available online 14 June 2021Source: Journal of Molecular StructureAuthor(s): Mohammed A.I. Elbastawesy, Ashraf A. Aly, Yaseen A.M.M. El-Shaier, Alan B. Brown, Gamal El-Din A. Abuo-Rahma, Mohamed Ramadan (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 14, 2021 Category: Molecular Biology Source Type: research
The substituent effect on the luminescent properties of a set of 4-amino-4H-1,2,4-triazole: syntheses, crystal structures and Hirshfeld analyses
Publication date: Available online 14 June 2021Source: Journal of Molecular StructureAuthor(s): Yu-Rong Xi, Xu-Kai Chen, Yong-Tao Wang, Gui-Mei Tang, Xiao-Min Chen, Yu-Song Wu, Shi-Ning Wang (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 14, 2021 Category: Molecular Biology Source Type: research
Metal Organic Framework (KIUB-MOF-1) as Efficient Adsorbent for Cationic and Anionic Dyes from Brackish Water
Publication date: Available online 12 June 2021Source: Journal of Molecular StructureAuthor(s): Khalil Ahmad, Habib-Ur-Rehman Shah, Sajidah Parveen, Tariq Aziz, Hafiza Ammara Naseem, Muhammad Ashfaq, Abdul Rauf (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 13, 2021 Category: Molecular Biology Source Type: research
