Thông tin nhà nghiên cứu KH&CN

Đánh giá về việc sử dụng các tính toán hóa học lượng tử trong phát triển các cảm biến huỳnh quang

Nghiên cứu quá trình khử điện hoá CO2 thành CO trên chất xúc tác lưỡng nguyên tử kim loại quý gắn trên graphene bằng phương pháp dft

Abelmoschus sagittifolius phytochemicals as potential CDK2 inhibitors for cancer therapy: Insights from ADMET, DFT, and ONIOM studies

Exceptional case of Kasha's rule: Emission from higher-lying singlet electron excited states into ground states in coumarin-based biothiol sensing

INVESTIGATION OF EXCITATION AND EMISSION PROPERTIES OF FLUORESCENCE COMPOUNDS BY DFT AND TD-DFT METHODS

Density functional theory study of the role of benzylic hydrogen atoms in the antioxidant properties of lignans

A theoretical study of the radical scavenging activity of natural stilbenes

Author Correction: Density functional theory study of the role of benzylic hydrogen atoms in the antioxidant properties of lignans

Hg2+-Promoted Spirolactam Hydrolysis Reaction: A Design Strategy for the Highly Selective Sensing of Hg2+ over other Metal Ions in Aqueous Media

Hg2+-Promoted Spirolactam Hydrolysis Reaction: A Design Strategy for the Highly Selective Sensing of Hg2+ over other Metal Ions in Aqueous Media

Density functional theory study of the role of benzylic hydrogen atoms in the antioxidant properties of lignans (vol 8, 12361, 2018)

Electrochemical and Chemical Synthesis of [ZnTCNQF4(DMF)2]·2DMF – A 2D Network Coordination Polymer

Using calculations of the electronically excited states for investigation of fluorescent sensors: A review

Is indolinonic hydroxylamine a promising artificial antioxidant?

Theoretical Study for Exploring the Diglycoside Substituent Effect on the Antioxidative Capability of Isorhamnetin Extracted from Anoectochilus roxburghii

Hydroxyl radical scavenging of indole-3-carbinol: a mechanistic and kinetic study

Antioxidant activities of monosubstituted indolinonic hydroxylamines: a thermodynamic and kinetic study

SUBSTITUENT EFFECTS ON THE ANTIOXIDANT ACTIVITY OF MONOSUBSTITUTED 3, 3’-DIINDOLYLMETHANE: A DFT STUDY

Autodock vina adopts more accurate binding poses but autodock4 forms better binding affinity

The radical scavenging activity of natural ramalin: A mechanistic and kinetic study

Functionalization and antioxidant activity of polyaniline–fullerene hybrid nanomaterials: a theoretical investigation

The antioxidant activity of natural diterpenes: theoretical insights

A coumarin derivative-Cu 2+ complex-based fluorescent chemosensor for detection of biothiols

Hierarchical Zn-Co-P nanoneedle arrays supported on three-dimensional framework as efficient electrocatalysts for hydrogen evolution reaction in alkaline condition

Theoretical study on the antioxidant activity of natural depsidones

Thermodynamic and kinetic studies of the radical scavenging behavior of hydralazine and dihydralazine: theoretical insights

Is usnic acid a promising radical scavenger?

Coumarin-Based Dual Chemosensor for Colorimetric and Fluorescent Detection of Cu2+ in Water Media

Theoretical and experimental studies of the antioxidant and antinitrosant activity of syringic acid

Prediction of stability constants of Cu2+ complexes with organic fluorescent ligands using thermodynamic cycle in combination with DFT theory and SMD solvent model

Substituent effects on the antioxidant capacity of monosubstituted diphenylamines: a DFT study

TD‐DFT benchmark for UV‐Vis spectra of coumarin derivatives

Antioxidant activity of thiourea derivatives: An experimental and theoretical study

The radical scavenging activity of glycozolidol in physiological environments: a quantum chemical study

Theoretical insights into the antiradical activity and copper-catalysed oxidative damage of mexidol in the physiological environment

Eco-friendly synthesis of 5-hydroxymethylfurfural and its applications as a starting material to synthesize valuable heterocyclic compounds

The prediction of pKa values for phenolic compounds by the DFT theory

Tautomerism and antioxidant power of sulfur-benzo [h] quinoline: DFT and molecular docking studies

Multitarget Mechanisms of 5‐hydroxy Ferulic Acid for Cancer Prevention: A Computational Chemistry Study

Antiradical Activity of Lignans from Cleistanthus sumatranus: Theoretical Insights into the Mechanism, Kinetics, and Solvent Effects

In silico evaluation of the antioxidant activity of 4-mercaptoimidazole monosubstituted derivatives

Theoretical insights into the mechanism, kinetics and solvent effects of the radical scavenging activity of artoheterophyllins

Evaluation of using the time-dependent density functional theory in studying the fluorescence properties of coumarin derivatives

Thiết kế, tổng hợp các sensor huỳnh quang phát xạ ở vùng bước sóng dài và ứng dụng để phát hiện các ion kim loại nặng.

Thiết kế, tổng hợp các sensor huỳnh quang phát xạ ở vùng bước sóng dài và ứng dụng để phát hiện các ion kim loại nặng.