| Theoretical investigation of The water splitting photocatalytic properties of the pristine, Nb/V doped, and Nb-V co-doped (111) TaOn nanosheet |
NULL |
1399 |
10 |
Journal |
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| Tautomerism in carbohydrate-derived Salicylidene Schiff bases: Solution, solid-state, and theoretical investigations |
10.1016/j.molstruc.2020.129853 |
1399 |
10 |
Journal |
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| Pd/Cu?Free Cobalt?Catalyzed Suzuki and Heck Using Green Bio?Magnetic Hybrid and DFT?Based Theoretical Study |
NULL |
1399 |
10 |
Journal |
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| 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 |
NULL |
1399 |
06 |
Journal |
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| Effect of sacrificial agents on the photoelectrochemical properties of titanium dioxide co-doped with tungsten and manganese as new visible light active |
NULL |
1399 |
04 |
Journal |
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| بررسي اثر پوشش دهي نانو استيل استونات منگنز بر روي مكانيسم تجزيه حرارتي آمونيوم پركلرات |
NULL |
1399 |
04 |
Journal |
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| Selective Photocatalytic Oxidation of Benzyl Alcohol at Ambient Conditions using Spray-Dried g-C3N4/TiO2 Granules |
10.1016/j.mcat.2020.110927 |
1399 |
04 |
Journal |
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| 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 |
NULL |
1399 |
03 |
Journal |
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| Mechanism of lithiation of amino acids in aqueous solutions: A laser desorption/ionization-time-of- flight mass spectrometry and theoretical study |
NULL |
1399 |
03 |
Journal |
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| 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 |
NULL |
1398 |
12 |
Journal |
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| The Role of Delocalization Energy on Superhalogen Property The Electron Affinity of MnXn-, MnXn 2 n- and MnXn3n- ( X O, S, and Se |
NULL |
1398 |
12 |
Journal |
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| Adenine dimer on the pure and bimetallic nanosurfaces of Au and Ag metals Hydrogen bonding on metal nanosurfaces |
NULL |
1398 |
11 |
Journal |
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| Theoretical insights into the electron affinity ofmanganese superhalogen compounds; NBO,QTAIM and energy decomposition analysis |
NULL |
1398 |
10 |
Journal |
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| Ionization of adenine in the presence of Na in the gas phase and water |
NULL |
1398 |
10 |
Journal |
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| مطالعه واجذب - يونش كمپلكسهاي Co(H2O)6(NO3)2 ، Co(H2O)7SO4، (Co(NH3)5Cl)Cl2،(Co(NH3)4CO3)NO3،(Fe(H2O)6CO3)SO4،(Fe(H2O)7)(NO3)3 با استفاده از روش طيف سنجي جرمي زمان پرواز با منبع تابش ليزر |
NULL |
1398 |
10 |
Journal |
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| Surface modification of alumina with P 2 O 5 and its application in 2-octanol dehydration |
NULL |
1398 |
10 |
Journal |
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| Interaction of Novel Ni2+, Cu2+ and VO2+ Complexes of a Tridentate Schiff Base Ligand with DNA, BSA and their Cytotoxic Activity |
NULL |
1398 |
09 |
Journal |
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| Humidity Effect on the Drift Times of the Reactant Ions in Ion Mobility Spectrometry |
NULL |
1398 |
08 |
Journal |
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| A naphthylamide based fluorescent probe for detection of Al3, Fe3, and CN- with high sensitivity and selectivity |
10.1016/j.saa.2019.117753 |
1398 |
08 |
Journal |
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| مطالعه تجربي اتصال يون سديم به فنيل آلانين به روش واجذب-يونش ليزري به كمك ماتريكس سديم دو دسيل سولفات با استفاده از طيف سنجي جرمي زمان پرواز |
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1398 |
08 |
Conference |
دومين كنگره ملي شيمي و نانوشيمي از پژوهش تا فناوري |