Structural Study of Betamethasone Drug by Using Theoretical Methods 128 Views
Corona virous can be treated by Betamethasone is one of the most used public drugs around the world due to its ability to treatment into many different diseases.
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Chemical reactivity study of anew suggested Chemotherapy agent using DFT 152 Views
Our new suggested chemotherapy agent is diaminobis((methylthio)oxy)platinum(VI)chloride (DMOP) complex. T
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A Comparative Reactivity Study of Adenine versus Guanine Base through Transition State Formation with cis-Platinum(IV) Complex using DFT 2064 Views
B3LYP, Lanl2DZ basis sets at density functional theory (DFT) method has been used on a ground state geometry optimized for all proposed structures that have been involved in this study.
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A Comparative Reactivity Study of Adenine versus Guanine Base through Transition State Formation with cis-Platinum(IV) Complex using DFT 724 Views
B3LYP, Lanl2DZ basis sets at density functional theory (DFT) method has been used on a ground state geometry optimized for all proposed structures that have been involved in this study.
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تحضير بوليمر نانوي جديد 4478 Views
براة اختراع تتضمن تحضير مادة كيميائية تتمتع بخصائص مختلفة ذات تطبيقات صناعية
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Prodrug design by computational methods 1299 Views
Simulation studies of nine compounds have been suggested to treat Parkinson’s disease using quantum calculation methods.
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Molecular modeling of platinum (IV) complex as new drugs for anticancer chemotherapy 1347 Views
Molecular modeling through theoretical calculation have been done to synthesis a new drugs for anticancer chemotherapy.
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Simulation study of ozone depletion 1578 Views
DFT, Ab-initio, and semiempirical have been used to simulate the mechanism of Ozone depletion by HCFC-124
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Molecular optmization study of gentamicine drug 1443 Views
Modulation study for a new drivatives of gentamicine to increased the reactivity
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Molecular modeling of platinum (IV) complex as new drugs for anticancer chemotherapy 1327 Views
Molecular modeling through theoretical calculation have been done to synthesis a new drugs for anticancer chemotherapy.
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Molecular optimization study of Gentamicin drug 1282 Views
Molecular optimization have been carried out in vacuumed to investigate the energetic properties
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Simulation Study of alkylation reaction of resorcinol 1732 Views
Study of alkylation reaction of resorcinol has been carried out theoretically using semi-empirical methods (PM3).
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Simulation Study of Adrenaline Synthesis from Phenylalanine 1557 Views
Simulation study of Adrenaline synthesis from Phenylalanine has been carried out using semi-empirical methods (PM3) and density functional theory (DFT) STO-3G level of theory .
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PHOTODECOLORIZATION OF BISMARCK BROWN R IN THE PRESENCE OF AQUEOUS ZINC OXIDE SUSPENSION 1632 Views
Bismarck brown R, (4-[5-C2, 4-diamino-5-methylphenyl) diazenyl-2-methylphenyl] diazenyl-6- methylbenzene-1, 3-diamine dihydrochloride, an anionic azo dye, was degraded photocatalytically under UV irradiation using zinc oxide aqueous suspension.
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PHOTOCATALYTIC DECOLORIZATION OF BISMARCK BROWN R BY SUSPENSION OF TITANIUM DIOXIDE 1169 Views
Photocatalytic decolorization of an aqueous bismarck brown R (4-[5-C2, 4-diamino-5- methylphenyl) diazenyl-2-methylphenyl] diazenyl-6-methylbenzene-1, 3-diamine dihydrochloride solution in a suspension of titanium dioxide
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Mechanism and Kinetic of Free Radical Reactions for Propane Using theoretical Calculations 1374 Views
Quantum calculation method has been used to understand and investigate the free radical reactions of propane with hydroxyl radical in vacuum
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Prodrug design by computational method to treatment Parkinson dis 1064 Views
: Simulation studies of nine compounds have been suggested to treat Parkinson’s disease using quantum calculation methods.
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simulation study of ozone depletion through photolysis mechanism 1482 Views
Quantum calculation methods like DFT, Ab-initio, and semiempirical have been used to simulate the mechanism of Ozone depletion by HCFC-124 (1-Chloro-1,2,2,2- tetrafluoroethane).
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Effect of anhydrous Magnesium Sulphate on eutectic mixture of Magnesium thermal cell 905 Views
Effect of additive salt on eutectic mixture of Magnesium thermal cell (Lithium Chloride - Potassium Chloride) upon the performance of voltage production using anhydrous magnesium sulphate have been done by the mechanism of open thermodynamic system.
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INVESTIGATION STUDY OF TRANSITION STATE FOR SYNTHESIS NEW SCHIFF BASE LIGANDS OF ISATIN DERIVATIVES 1110 Views
Estimate the real transition states of synthesis new Schiff base ligands derivativeُ
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