دوره و شماره: دوره: 5 شماره: 4
تعداد مقالات: 15

Mean Activity Coefficients Measurements and Thermodynamic Modeling of the Ternary Mixed Electrolyte KCl + Lactose + Water System at T = 298.15 K

صفحه 783 - 794   دوره 5    شماره 4

Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View

صفحه 709 - 725   دوره 5    شماره 4

Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies

صفحه 659 - 679   دوره 5    شماره 4

Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)

صفحه 681 - 689   دوره 5    شماره 4

Calculation of Thermodynamic Parameters of [2.4.6] Three Nitro Toluene (TNT) with Nanostructures of Fullerene and Boron Nitride Nano-cages over Different Temperatures, Using Density Functional Theory

صفحه 617 - 627   دوره 5    شماره 4

Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study

صفحه 727 - 736   دوره 5    شماره 4

Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters

صفحه 691 - 707   دوره 5    شماره 4

Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis

صفحه 643 - 658   دوره 5    شماره 4

Ab Initio Studies on the Interplay between Unconventional B•••X Halogen Bond and Lithium/Hydrogen/Halogen Bond in HB(CO)2•••XCN•••YF (X = Cl, Br; Y = Li, H, Cl) Complexes

صفحه 771 - 781   دوره 5    شماره 4

A Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives

صفحه 737 - 754   دوره 5    شماره 4

Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid

صفحه 629 - 641   دوره 5    شماره 4

Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol

صفحه 755 - 769   دوره 5    شماره 4

DFT Studies and Topological Analyses of Electron Density on Acetophenone and Propiophenone Thiosemicarbazone Derivatives as Covalent Inhibitors of Falcipain-2, a Major Plasmodium Falciparum Cysteine Protease

صفحه 795 - 817   دوره 5    شماره 4

N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels

صفحه 819 - 830   دوره 5    شماره 4

The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study

صفحه 831 - 839   دوره 5    شماره 4
دانشگاه شهید بهشتی
Anonymous peer review
فارسی - Persian
داوری یک سو ناشناس