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نویسنده: Mohammad Khavani


موارد یافت شده: 42

1 - Theoretical design and experimental study on the gold nanoparticles based colorimetric aptasensors for detection of neomycin B (چکیده)
2 - A molecular approach on the ability of functionalized gold nanoparticles for selective sensing of Hg2+ (چکیده)
3 - RNA aptasensor based on gold nanoparticles for selective detection of neomycin B, molecular approach (چکیده)
4 - MD/QM modeling of the modified gold nanoparticles and investigation of their sensing ability for selective detection of melamine (چکیده)
5 - A new electrochemical aptasensor based on MWCNT-SiO2@Au core-shell nanocomposite for ultrasensitive detection of bisphenol A (چکیده)
6 - A combined MD/QM study on the sensing mechanism of Pb 2+ by glutathione functionalized gold nanoparticles (چکیده)
7 - Theoretical Design of Aptasensor Based on the Gold nanoparticles (چکیده)
8 - Understanding the role of noncovalent interactions on the rate of some Diels-Alder reactions in different solvents (چکیده)
9 - Modeling of the Functionalized Gold Nanoparticle Aggregation in the Presence of Dopamine: A Joint MD/QM Study (چکیده)
10 - A joint QM/MD study on α-, β- and γ-cyclodextrins in selective complexation with cathinone (چکیده)
11 - DFT Study on the Selective Complexation of B12N12 Nanocage with Alkali Metal Ions (چکیده)
12 - Hybrid Cyclic Nanopeptides as Ion Sensors, Molecular Approach (چکیده)
13 - DFT investigation of the kinetics and mechanism of the thermal decomposition of oxalic acid (چکیده)
14 - Selective Binding of Cyclic Nanopeptide with Halides and Ion Pairs; a DFT-D3 Study (چکیده)
15 - Sensing Ability of Hybrid Cyclic Nanopeptides Based on Thiourea Cryptands for Different Ions, A Joint DFT-D3/MD Study (چکیده)
16 - Glucose Derivatives Substitution and Cyclic peptide Diameter Effects on the Stability of the Self-Assembled Cyclic Peptide Nanotubes; a Joint QM/MD Study (چکیده)
17 - MOLECULAR DYNAMIC SIMULATION STUDY ON THE SELECTIVE COMPLEXATION OF PORPHYRIN TRIMER WITH FULLERENES (چکیده)
18 - THEORETICAL STUDY ON THE ABILITY OF THE (GLY)4 CYCLIC NANOPEPTIDE AS A SENSOR FOR ALKALINE EARTH METAL IONS (چکیده)
19 - A THEORETICAL OVERVIEW ON THE RATE OF DIMERIZATION OF CYCLOPENTADIENE (چکیده)
20 - NBO Analysis on the Phosphorylated Peptide and Zn-DPA Complex as a Biosensor (چکیده)
21 - A DFT study of solvent effects on the kinetics and mechanism of the [3,3] hetero-Cope rearrangement of 1-butene thiobenzoate (چکیده)
22 - A DFT Study On The Kinetics And Mechanism Of Cyclo-diglycine Thermal Decomposition Reaction In The Gas Phase (چکیده)
23 - Theoretical Design of a New Generation of the Cyclic Lipopeptide Nanotubes (چکیده)
24 - Theoretical Design of the Cyclic Lipopeptide Nanotube as a Molecular Channel in the Lipid Bilayer, Molecular Dynamics and Quantum Mechanics Approach (چکیده)
25 - DFT investigation and molecular dynamic simulation on the selectivecomplexation of cis-cyclic nanopeptides with alkaline earth metalions (چکیده)
26 - Implicit and explicit solvent effects on the selectivity of cycloaddition reaction of cyclopentadiene and methyl acrylate; a theoretical study (چکیده)
27 - Quantum Chemistry Study on the Mechanism of Oxidation of Cysteine to Cystine Using Hydrogen Peroxide (چکیده)
28 - A Combined Molecular Dynamic and Quantum Mechanic Study of the Solvent and Guest Molecule Effect on the Stability and Length of Heterocyclic Peptide Nanotube (چکیده)
29 - Is Heterocyclic Peptide Nanotube of 1,4-Disubstituted-1,2,3-Triazole Amino Acid Suitable for ION and Drug Delivery? (چکیده)
30 - Secondary Structure Effects on the Acidity of Histidine and Lysine-Based Peptides Model; a Theoretical Study (چکیده)
31 - A Comprehensive Study of the Solvent Effects on the Cycloaddition Reaction of Diethyl Azodicarboxylate and Ethyl Vinyl Ether: Efficient Implementation of QM and TD-DFT Study (چکیده)
32 - Theoretical Study of the Solvent Effect on the Rate of the Keto-Enol Tautomerization (چکیده)
33 - A DFT Study on the Kinetics of the Thermal Decomposition of Formaldehyde Diperoxide (چکیده)
34 - A facile access to highly functionalized triphenylphosphoranylidene succinimides through a three-component reaction and DFT investigation on the reaction mechanism (چکیده)
35 - QTAIM and NBO Analysis of a New Oxidative Salt of 1,1/-(Ethane-1, 2-diyl) Dipyridinium bisiodate (چکیده)
36 - Quantum Chemistry Aspects of the Solvent Effects on the Ene Reaction of 1-Phenyl-1,3,4-triazolin-2,5-dione and 2-Methyl-2-butene (چکیده)
37 - A DFT Study on the Thermodynamics Properties of new Oxidative Salt of 1, 1/- (Ethane-1, 2-diyl) dipyridinium dichromate (VI) (چکیده)
38 - Solvent Effects on the Kinetics of Cycloaddition Reactions of 2,3- Dimethy butadiene and Diethylazodicarboxylate; A DFT Study (چکیده)
39 - A Joint Experimental and Theoretical Study on the Synthesis and Structure of the new Oxidative salt of Triphenyl [2-(triphenylphosphaniumyl) ethyl] phosphanium bis(periodate) (چکیده)
40 - Quantum Chemistry Aspects of the Solvent Effects on 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide Pyrolysis Reaction (چکیده)
41 - AIM, NBO and HOMO-LUMO Analysis of 1,1/-(Ethane-1,2-diyl)dipyridinium bis(iodate) (EDB) by Density Functional Method (چکیده)
42 - A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide (چکیده)