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Physical Chemistry Research، 1396، جلد ۵، شماره ۴
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۱ 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 1396/4/7 - Get XML Data ۵۶ بار
۲ Preparation and Characterization of a Novel Biodegradable Epoxy Resin Modified with Epoxidized Oleic Acid 1396/8/12 - Get XML Data ۳۷ بار
۳ Empirical Potential Energy Curve for the Ground State of CaH from a Multi-isotopologue Direct Potential Fit Analysis 1396/8/12 - Get XML Data ۲۹ بار
۴ Physical Chemistry Studies of Acid Dye Removal from Aqueous Media by Mesoporous Nano Composite: Adsorption Isotherm, Kinetic and Thermodynamic Studies 1396/8/12 - Get XML Data ۲۵ بار
۵ Antimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC) 1396/8/12 - Get XML Data ۲۷ بار
۶ Diesel Oil Upgradation by Ultrasound Irradiation: A Study on the Effects of Main Operational Parameters 1396/8/12 - Get XML Data ۲۸ بار
۷ Quantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View 1396/8/12 - Get XML Data ۳۶ بار
۸ Mechanism Discrimination for Bimolecular Reactions: Revisited with a Practical Hydrogenation Case Study 1396/8/12 - Get XML Data ۲۴ بار
۹ A Density Functional Theory Investigation of d8 Transition Metal(II) (Ni, Pd, Pt) Chloride Complexes of Some Vic-dioximes Derivatives 1396/8/12 - Get XML Data ۲۷ بار
۱۰ Theoretical Investigation of the Reaction Mechanism for a Type of N-heterocyclic Compound Involving Mono-N-aryl-3-aminodihydropyrrol 1396/8/12 - Get XML Data ۲۶ بار
۱۱ 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 1396/8/12 - Get XML Data ۴۳ بار
۱۲ Mean Activity Coefficients Measurements and Thermodynamic Modeling of the Ternary Mixed Electrolyte KCl + Lactose + Water System at T = 298.15 K 1396/8/12 - Get XML Data ۲۷ بار
۱۳ 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 1396/8/12 - Get XML Data ۳۱ بار
۱۴ N-Heterocyclic Plumbylenes (NHPbs) at Theoretical Levels 1396/8/12 - Get XML Data ۲۹ بار
۱۵ The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study 1396/8/12 - Get XML Data ۳۹ بار
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