Articles

Title DOI Year Month type
Synthesis and characterization of the P C-palladacycles with bridging and chelating dinitrogen ligands and ONIOM calculations on the pyrazine-bridged organometallic calculations on the pyrazine-bridged organometallic NULL 1394 10 Journal
A Simple Method for Estimating the Absolute Solvation Free Energy of Monovalent Ions in Different Solvents NULL 1394 09 Journal
Selective Complexation of S-block Cations with Nanotubular Silk Type Cyclopeptides A DFT Study NULL 1394 09 Journal
Adsorption of small gas molecules on B36 nanocluster NULL 1394 08 Journal
A DFT-D study on the interaction between lactic acid and single-wall carbon nanotubes NULL 1394 08 Journal
Simple and water-assisted tautomerism in succinimide NULL 1394 06 Journal
Theoretical study on the mechanism and kinetics of atmospheric reactions C n H2n 2 NH2 (n 1 3) NULL 1394 05 Journal
Corona discharge ionization of paracetamol molecule Peak assignment NULL 1394 05 Journal
Kinetics mechanism and thermodynamics of reactions of CH3NHNH2 with OOH NULL 1394 05 Journal
Ab initio study of the Ar CS2 (V1B2) intermolecular potential surface effect of van der Waals interaction on the emission of CS2 molecule NULL 1394 05 Journal
Gas phase ionization energies of some important unsaturated steroids NULL 1394 04 Journal
Protein ligand interaction study of signal transducer smoothened protein with different drugs molecular docking and QM/MM calculations NULL 1394 04 Journal
Structures and Photoelectron Spectra of Helium Nano Clusters NULL 1394 04 Journal
Design of novel potential aromatase inhibitors via hybrid pharmacophore approach docking improvement using the QM/MM method NULL 1394 03 Journal
Experimental and theoretical spectroscopic study and structural etermination of nickel(II) tridentate Schiff base complexes NULL 1394 03 Journal
Selective complexation of alkaline earth metal ions with nanotubular cyclopeptides DFT theoretical study NULL 1394 02 Journal
Direct Fabrication of Au/Pd(II) Colloidal Core-Shell Nanoparticles by Pulsed Laser Ablation of Gold in PdCl 2 Solution NULL 1394 01 Journal
تاثير زمان ماندگاري بر خواص اپتيكي نانوذرات هسته-پوسته Au/Pd ساخته شده به روش كندوسوز ليزر پالسي NULL 1394 01 Journal
Rovibrational energy and spectroscopic constant calculations of complexes pairing via dihydrogen bonds NULL 1394 01 Journal
Dissociation absorption and ionization of some important sulfur oxoanions (S 2 On 2- n 2 3 4 6 7 and 8) NULL 1393 12 Journal