Articles

type: Journal
Title DOI Date type
Theoretical study of the vapochromic properties of a mononuclear Pd (II) complex with piroxicam ligands for the detection of the vapor of several solvents # Journal
Interaction of M@Au12 nanocluster (M = Au, Ag, Pd, and Pt) with different forms of cysteine (uncharged, cationic, anionic, and zwitterion) via the Au-S bond # Journal
Mechanistic insight into the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst: effect of Pd clustering on the barrier energy and selectivity # Journal
Electrocatalytic property, anticancer activity, and density functional theory calculation of [NiCl(P^N^P)]Cl.EtOH 10.1002/aoc.6092 Journal
Sodium salts effect on the time of flight mass spectra of some amino acids in the direct-laser desorption ionization and matrix-assisted laser desorption/ionization # Journal
Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study # Journal
Theoretical investigation of The water splitting photocatalytic properties of the pristine, Nb/V doped, and Nb-V co-doped (111) TaOn nanosheet # Journal
Pd/Cu?Free Cobalt?Catalyzed Suzuki and Heck Using Green Bio?Magnetic Hybrid and DFT?Based Theoretical Study # Journal
A TD-DFT study of the excited dissociative electronic states of the DNA nucleobases bound to Li+ # Journal
Tautomerism in carbohydrate-derived Salicylidene Schiff bases: Solution, solid-state, and theoretical investigations 10.1016/j.molstruc.2020.129853 Journal
Electron affinities of X12O12 (Be, Mg, andCa), X12N12 (B, Al, and Ga), and X12P12 (B, Al, and Ga) nanocages NBO calculations and energy decomposition analysis # Journal
Selective Photocatalytic Oxidation of Benzyl Alcohol at Ambient Conditions using Spray-Dried g-C3N4/TiO2 Granules 10.1016/j.mcat.2020.110927 Journal
Effect of sacrificial agents on the photoelectrochemical properties of titanium dioxide co-doped with tungsten and manganese as new visible light active # Journal
SBA-15-Supported Imidazolium Ionic Liquid through Different Linkers as a Sustainable Catalyst for the Synthesis of Cyclic Carbonates: A Kinetic Study and Theoretical DFT Calculations # Journal
Mechanism of lithiation of amino acids in aqueous solutions: A laser desorption/ionization-time-of- flight mass spectrometry and theoretical study # Journal
The Role of Delocalization Energy on Superhalogen Property The Electron Affinity of MnXn-, MnXn 2 n- and MnXn3n- ( X O, S, and Se # Journal
Excitation of hydrated Li and Na to their dissociative states The effectof hydrogen bond on the dissociation of Li-O and Na-O bonds and thecomparison of the TD-DFT and SAC-CI excited dissociative states # Journal
Adenine dimer on the pure and bimetallic nanosurfaces of Au and Ag metals Hydrogen bonding on metal nanosurfaces # Journal
Theoretical insights into the electron affinity of manganese superhalogen compounds; NBO, QTAIM and energy decomposition analysis 10.1080/00268976.2020.1718791 Journal
Surface modification of alumina with P 2 O 5 and its application in 2-octanol dehydration # Journal