nStructural properties of a novel heterocyclic chalcones derivative, (E)-3-(5-methyl furan-2-yl)-1-phenyl prop-2-en-1-one: a spectroscopic and DFT perception
Publication date: Available online 26 June 2021Source: Journal of Molecular StructureAuthor(s): Seema Shukla, Anubha Srivastava, Poonam Tandon, Joazaizulfazli Jamalis, R.B. Singh (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Sandhya Savita, Aysha Fatima, Km. Garima, Km. Pooja, Indresh Verma, Nazia Siddiqui, Saleem Javed (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Determination of L X-ray fluorescence cross-sections in the atomic range of elements 57 ≤ Z ≤ 69 in an external magnetic field
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Mine Uğurlu, Tuba Akkuş, Lütfü Demir (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Design, molecular docking, and antimicrobial assessment of newly synthesized phytochemical thymol Mannich base derivatives
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Ajit Kumar Bishoyi, Monalisa Mahapatra, Sudhir Kumar Paidesetty, Rabindra Nath Padhy (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 28, 2021 Category: Molecular Biology Source Type: research

Structural, spectroscopic studies, thermal proprieties and Hirshfeld surface analysis of a novel tetra-piperidinium disodium decavanadate nonahydrate
Publication date: Available online 26 June 2021Source: Journal of Molecular StructureAuthor(s): Taissir AISSA, Mauro CARRARO, Regaya KSIKSI, Mohamed Faouzi ZID (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Syntheses, characterization and oxygen evolution reaction (OER) electrocatalytic properties of M(II) based bromo-salophen complexes
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Chiteri Gautam, Ayushi Singh, Anar Singh, Ashish Kumar Singh, Vinod Kumar Sharma, Pramod Kumar (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Synthesis, crystallographic structure, DFT computational studies and Hirschfeld surface analysis of a new tetranuclear anionic bromobismuthate(III): [C12H20N2]2Bi4Br16•2H2O
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Chayma Ounalli, Manel Essid, Giuseppe Bruno, Antonio Santoro, Sonia Abid, Zouhaier Aloui (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Copper (II) halide complexes with NNO tridentate ligand as chromotropic probes; synthesis, structural characterization and spectroscopic properties
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Atie Shirvan, Hamid Golchoubian, Maxime A. Siegler, Elisabeth Bouwman (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Pluronic stabilized conjugated polymer nanoparticles for NIR fluorescence imaging and dual phototherapy applications
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Timea Nagy-Simon, Oana Diaconu, Monica Focsan, Adriana Vulpoi, Ioan Botiz, Ana-Maria Craciun (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Designing of an Adipic acid bridged Zn(II) coordination polymer: Synthesis and biological study
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): Angeera Chandra, Basudeb Dutta, Kunal Pal, Kuladip Jana, Chittranjan Sinha (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 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: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): A.M. Mohamed, Ahmed M. El-Nahas (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Judd-Ofelt analysis of spectroscopic measurements of Er3+ doped boro-zincate glasses
Publication date: 5 November 2021Source: Journal of Molecular Structure, Volume 1243Author(s): S.Y. Marzouk, M.A. Azooz, H.A. El Batal (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Optoelectronic, photocatalytic and biological studies of mixed ligand Cd(II) complex and its fabricated CdO nanoparticles
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): B.R. Kirthan, M.C. Prabhakara, H.S. Bhojya naik, R. Viswanath, P.H. Amith Nayak (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Calculation Of The Damping Constant (FWHM), The Relaxation Time, And The Activation Energy As A Function Of Temperature For DmaCd(N3)3
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): A. Kurt (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research

Synthesis and molecular dynamic simulation studies of novel N-(1-benzylpiperidin-4-yl) quinoline-4-carboxamides as potential acetylcholinesterase inhibitors
Publication date: 15 November 2021Source: Journal of Molecular Structure, Volume 1244Author(s): Haniyeh Pashaei, Atiyeh Rouhani, Mojgan Nejabat, Farzin Hadizadeh, Salimeh Mirzaei, Hamid Nadri, Mahdi Faal Maleki, Razieh Ghodsi (Source: Journal of Molecular Structure)
Source: Journal of Molecular Structure - June 26, 2021 Category: Molecular Biology Source Type: research