نمایش نتایج جستجو برای
نویسنده: حسین ثابت سروستانی
موارد یافت شده: 34
1 - β-amino alcohols as promising inhibitory candidates against the SARS-CoV-2, A theoretical design based on MD simulation and DFT insights (چکیده)2 - Design and synthesis of novel main protease inhibitors of COVID-19: quinoxalino[2,1-b]quinazolin-12-ones (چکیده)
3 - Quinoxaline derivatives as potent compounds against both 3CLpro and PLpro enzymes of SARS-CoV-2 virus: an insight from experimental and theoretical approaches (چکیده)
4 - Immobilization of Ni nanoparticles on pyridine-functionalized MWCNTs for indirect synthesis of benzimidazoles and quinazolinones, and their molecular docking studies as effective inhibitors of α-glucosidase (چکیده)
5 - Distortion-controlled 1,2-dicarbene reactivity of 3-triflyloxybenzynes: a theoretical approach (چکیده)
6 - A convenient one‑pot synthesis of novel heterocyclic systems of 9‑chloro‑4‑methyl‑6,11‑dihydro‑5H‑benzo[b]pyrimido[4,5‑e][1,4] diazepine and inhibitory evaluation against bromodomain‑containing protein 4 (BRD4) enzyme by molecular docking (چکیده)
7 - Understanding the effects of building block rings of π electron-rich organic photocatalysts in CO2 transformation to amino acids (چکیده)
8 - Synthesis, molecular docking and dynamics studies of pyridazino[4,5- b ]quinoxalin-1(2 H )-ones as targeting main protease of COVID-19 (چکیده)
9 - A theoretical approach to investigating the mechanism of action and efficiency of N-heterocyclic olefins as organic catalysts for transesterification reactions (چکیده)
10 - Nitronium salts as mild and inexpensive oxidizing reagents toward designing efficient strategies in organic syntheses; A mechanistic investigation based on the DFT insights (چکیده)
11 - Pyrido[1,2-e]purine: Design and Synthesis of Appropriate Inhibitory Candidates against the Main Protease of COVID-19 (چکیده)
12 - Quaternary phosphonium salts in the synthetic chemistry: Recent progress, development, and future perspectives (چکیده)
13 - Substituent effects and mechanism studies in CO2 transformation to benzoxazinone derivatives as worthwhile N‐containing heterocycles: Insight from Density functional theory (چکیده)
14 - Schiff bases-titanium (III) & (IV) complex compounds: Novel photocatalysts in Buchwald-Hartwig C–N cross-coupling reaction (چکیده)
15 - Theoretical introduction and design of Si/N catalysts as efficient reducing agents in CO2 hydroboration by planar Si/N π-conjugated molecules (چکیده)
16 - Theoretical designing and understanding of the performances of BH bridged organocatalysts by π‐conjugated molecules in CO2 hydroboration (چکیده)
17 - Molecular electrostatic potential at nuclear position as a new concept in evaluation of the substitution effects of intramolecular B/N frustrated Lewis pairs in H2 splitting and CO2 reduction (چکیده)
18 - Evaluation and understanding the performances of various derivatives of carbonyl-stabilized phosphonium ylides in CO2 transformation to cyclic carbonates (چکیده)
19 - Performance studies of CO2 transformation to methanol by zwitterionic indenylammonium derivatives as a new class of carbon-centered organocatalysts (چکیده)
20 - Proton sponge as a new efficient catalyst for carbon dioxide transformation to methanol: Theoretical approach (چکیده)
21 - Understanding the thermodynamic and kinetic performances of the substituted phosphorus ylides as a new class of compounds in carbon dioxide activation (چکیده)
22 - Synthesis of Novel Bis-Benzimidazolyl Podands: A new Chemosensor for Cu2+ (چکیده)
23 - Phosphorus Ylides as a New Class of Compounds in CO2 Activation: Thermodynamic and Kinetic Studies (چکیده)
24 - Theoretical evaluation of the organocatalytic behavior of the negatively charged carbon atom in a fused five-member ring in carbon dioxide transformation to methanol (چکیده)
25 - حسگرشیمیایی رنگ سنجی بسیار گزینش پذیر برای آنیون فلوئورید از طریق برهمکنش پیوند هیدروژنی: مطالعه تجربی و نظری (چکیده)
26 - Understanding the mechanism, thermodynamic and kinetic features of Kukhtin-Ramirez reaction in carbamate synthesis from carbon dioxide (چکیده)
27 - A theoretical study on the efficiency and role of guanidines-based organic superbases on carbon dioxide utilization in quinazoline-2,4(1H, 3H)-diones synthesis (چکیده)
28 - NCI concept as a powerful tool to investigate the origin of Diels–Alder reaction accelerating inside the self-assembled softball nanoreactor (چکیده)
29 - Borohydride salts as high efficiency reducing reagents for carbon dioxide transformation to methanol: Theoretical approach (چکیده)
30 - Design and Synthesis of A Novel Bis - Benzimidazolyl Podand As a Responsive Chemosensors for Anions (چکیده)
31 - Stereoelectronic effects: a powerful concept in explaning kinetic and thermodynamic aspects of retro cheletropic reactions (چکیده)
32 - Theoretical investigation of the chemoselectivity and synchronously pyrazole ring formation mechanism from ethoxymethylenemalononitrile and hydrazine hydrate in the gas and solvent phases: DFT, meta-GGA studies and NBO analysis (چکیده)
33 - Synthesis of New Derivatives of Novel Heterocyclic System of Pyrazolo[1,5-a]pteridine (چکیده)
34 - A Novel Bis-Benzimidazolyl Podand Designed As Anion Receptor (چکیده)
