Thông tin nhà nghiên cứu KH&CN

Synthesis, characterization, and photocatalytic activity of multicomponent CdMoO4/g-C3N4/GO composite

Theoretical study on inhibitability of some natural alkaloids against influenza virus hemagglutinin and SARS-CoV-2 main protease

In silico study on inhibitability of flavonoidal derivatives against Helicobacter pylori and their pharmacological potentiality

An in silico study on inhibitability of Baloxavir marboxil, Baricitinib, Galidesivir, Nitazoxanide, and Oseltamivir against SARS-CoV-2

Inhibitory, biocompatible, and pharmacological potentiality of dammarenolic-acid derivatives towards α-glucosidase (3W37) and tyrosine phosphatase 1B (PTP1B)

In silico screening for inhibitory potentiality towards protein structure tyrosine phosphatase 1B of sulfonylureas derivatives

Phytochemistry and anti-inflammatory activity of iridoids from Dolichandrone spathacea collected in the mangrove forest of Phu Loc district, Thua Thien Hue province, Vietnam

Molecular docking prediction of carvone and trans-geraniol inhibitability towards SARS-CoV-2

A theoretical study on inhibitability of silver(I) N-heterocyclic carbene and dimer silver(I) N-heterocyclic carbene complexes against Phytophthora capsici and Fusarium sporotrichioides in Piper nigrum L.

Study on SARS-CoV-2 inhibition of some potential drugs using molecular docking simulation

Coordination complexes of slight tetrylene with platinum(II)-8-hydroxyquinolines: Structure and bonding analysis

Diagram of vapor-liquid equilibria for n-pentane using hybrid Gibbs ensemble Monte Carlo simulation

Insight prediction of receptor binding activity of a set of benzamide derivatives using hybrid QSAR models: GA-MLR and GA-SVR

Phytochemical Constituents Isolated From Distichochlamys citrea M.F. Newman Rhizomes and Their Antioxidant and α-glucosidase Inhibitory Activities

The study on biological activity and molecular docking of secondary metabolites from Bacillus sp.isolated from the mangrove plant Rhizophora apiculata Blume

Anti-Dengue Screening on Several Vietnamese Medicinal Plants: Experimental Evidences and Computational Analyses

Antioxidant activity and α‑glucosidase inhibitability of Distichochlamys citrea M.F. Newman rhizome fractionated extracts: in vitro and in silico screenings

Antimicrobial Properties of Distichochlamys citrea M.F. Newman Rhizome n-Hexane Extract against Streptococcus pyogenes: Experimental Evidences and Computational Screening

A DFT study of the molecular and electronic structures of cis‑dioxidomolybdenum (VI) complex of 8‑hydroxyquinoline and 4‑benzoyl‑3‑methyl‑1‑phenyl‑2‑pyrazolin‑5‑one with water

Structural characteristics and chemical reactivity of gold‑based clusters Aun (n = 16, 17) toward lone pairs

In Silico Inhibitability of Copper Carbenes and Silylenes against Rhizoctonia solani and Magnaporthe oryzae

A Computational Screening on Inhibitability of Piper Betle Essential Oil Chemical Structures against Spike Proteins of Mutated SARS-CoV-2variants D614G, N501Y, and S477N

Screening for Streptococcus pyogenes antibacterial and Candida albicans antifungal bioactivities of organic compounds in natural essential oils of Piper betle L., Cleistocalyx operculatus L. and Ageratum conyzoides L.

A molecular docking simulation study on potent inhibitors against Rhizoctonia solani and Magnaporthe oryzae in rice: silver-tetrylene and bis-silver-tetrylene complexes vs. validamycin and tricyclazole pesticides

New triterpene sulfates from Vietnamese red alga Tricleocarpa fragilis and their α-glucosidase inhibitory activity

Iron ions chelation-based antioxidant potential vs. pro-oxidant risk of ferulic acid: A DFT study in aqueous phase

Evaluation of the Inhibitory Activities of COVID-19 of Melaleuca cajuputi Oil Using Docking Simulation

Calculation of thermodynamic properties of vapor–liquid equilibria using ab initio intermolecular potential energy surfaces for dimer O2–O2

An Ab Initio RRKM-Based Master Equation Study for Kinetics of OH-Initiated Oxidation of 2-Methyltetrahydrofuran and Its Implications in Kinetic Modeling

New insights into the competition between antioxidant activities and pro-oxidant risks of rosmarinic acid

Theoretical Aspects of Nonconventional Hydrogen Bonds in the Complexes of Aldehydes and Hydrogen Chalcogenides

Newly synthesised oxime and lactone derivatives from Dipterocarpus alatus dipterocarpol as antidiabetic inhibitors: experimental bioassay-based evidence and theoretical computation-based prediction

Styracifoline from the Vietnamese Plant Desmodium styracifolium:A Potential Inhibitor of Diabetes-Related and Thrombosis-Based Proteins

Antioxidant and UV-radiation absorption activity of aaptamine derivatives – potential application for natural organic sunscreens

On the Inhibitability of Natural Products Isolated from Tetradium ruticarpum towards Tyrosine Phosphatase 1B (PTP1B) and α-Glucosidase (3W37): An In Vitro and In Silico Study

Gold nanoclusters as prospective carriers and detectors of pramipexole

Isolation, semi-synthesis, docking-based prediction, and bioassay-based activity of Dolichandrone spathacea iridoids: new catalpol derivatives as glucosidase inhibitors

A density functional theory study on silver and bissilver complexes with lighter tetrylene: are silver and bis-silver carbenes candidates for SARS-CoV-2 inhibition? Insight from molecular docking simulation

In-Depth Investigation of a Donor−Acceptor Interaction on the Heavy-Group-14@Group-13-Diyls in Transition-Metal Tetrylone Complexes: Structure, Bonding, and Property

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

Growth Pattern, Stability, and Properties of Complexes of C2H5OH and nCO2 (n =1−5) Molecules: A Theoretical Study

Investigation into SARS-CoV‑2 Resistance of Compounds in Garlic Essential Oil

Effect of solvents on the structure of inorganic – organic hybrid material ZIF-11

Inhibition of rice-blast fungus Magnaporthe oryzae by Piper betle extracts: in vitro evidence and in silico prediction

Kết quả ban đầu về tiềm năng và triển vọng kháng SARS-CoV-2 của một số thuốc Y học Cổ truyền

Investigation of Natural Plant-Derived Bioactive Inhibitors against SARS-CoV-2 Infection: A Review

Thực hành Hóa lý 2

Thực hành Hóa lý 1

Theoretical exploitation of donor-acceptor ability in low-valent group-14 elements complexes [E(PPh3)2SiH2]2+ (E=C–Pb) using energy decomposition analysis

An overview of structure and bonding for tetrylones with Group-13-diyls in transition metal complexes

Roles of H2O to hydrogen bonds, structure and strength of complexes of CH3CHS and H2O

An insight QSPR-based prediction model for stability constants of metal-thiosemicarbazone complexes using MLR and ANN methods

Calculation of stability Constant of Metal-thiosemicarbazone Complexes using MLR, PCR and ANN

Novel QSPR modeling of stability constants of metal-thiosemicarbazone complexes in aqueous solution by hybrid multivariate technique: GA-MLR, GA-SVR and GA-ANN

Theoretical assessment of donor–acceptor complexes [X(PPh3)2 → AlH2]+ (X = C–Pb): structures and bonding

Theoretically predicted Divalent Silicon(0) compounds: Structures and Chemical Bonding of Silylone in Molybdenum Pentacarbonyl Complexes [Mo(CO)5-Si(XCp*)2] (X = B – Tl)

Structural variations and chemical bonding in platinum complexes of Group 14 heavier tetrylene homologues. Do Divalent Tetrylenes(II) Have Hidden Divalent Tetrylones(0) Chemistry Character?

Anticancer agents of kaempferol-3-O-methylether and kaempferol-3-O-(2,4-O-diacetyl-alpha-L rhamnopyranoside) in leaf of plants Zingiber zerumbet SM using 2D, 3D descriptors

Optimization of the Photochemical Degradation of Textile Dye Industrial Wastewaters

Can Tetrylone act in a similar fashion to Tetrylene in Ni(CO)2 complexes? A theoretical study based on a comparison using DFT calculations

A benzothiazolium-derived colorimetric and fluorescent chemosensor for detection of Hg2+ ions

Bonding Situation of Bis-gold Chloride Complexes with N-heterocyclic Carbene-Analogues [(AuCl)2-NHEMe] (E = C–Pb) based on DFT Calculations

Prediction of anticancer activities of cynaroside and quercetin in leaf of plants cynara scolymus L and artocarpus incisa L using structure-activity relationship

Vapor-liquid equilibria of binary system CO and Cl2 in mixture of greenhouse gases using quantum calculation

Prediction of anticancer activities of luteolin and daidzin in leaf of plants Perilla ocymoides L. and Glucine Max L using 2D, 3D descriptors

A hemicyanine complex for the detection of thiol biomolecules by fluorescence

Structures and Bonding Situation of Iron Complexes of Group-13 Half-Sandwich ECp* (E = B to Tl) Based on DFT Calculations

A Comparison of Donor-acceptor Interactions in Borane Complexes of Divalent Tetrylenes(II) and Divalent Tetrylones(0) using Energy Decomposition Analysis Method with Natural Orbital for Chemical Valence Theory

Theoretical study on Nickel(II) amide complexes of carbone and carbene: New suggested molecules as fertilizer for plants

Theoretical evaluation of pyrazine and three substituted: Property information for the use of new molecules as corrosion inhibitors

Characterization and bonding situation of catalyzed asymmetric palladium-PEPPSI complexes with N-heterocyclic carbene and analogues

A Fluorescent sensor based on Dansyl-Diethylenetriamine-Thiourea conkjugate: A through theoretical investigation

A highly sensitive fluorescent chemosensor for simultaneous determination of Ag(I), Hg(II), and Cu(II) ions

A theoretical study for quantum chemical calculations of tunsteng teracarbonyl complexes with tetrylone ligands E(PH3)2 (E=C-Pb). A quest for understanding

Theoretical study on Nickel(II) amide complexes of carbone and carbene: New suggested molecules as fertilizer for plants

Characterization and bonding situation of catalyzed asymmetric palladium-PEPPSI complexes with N-heterocyclic carbene and analogues

Theoretical evaluation of pyrazine and three substituted: Property information for the use of new molecules as corrosion inhibitors

Ab initio calculation of intermolecular potentials for dimer Cl2–Cl2 and prediction of second virial coefficients

Cong Thanh Vo, Lam Kim Huynh, Jyh-Chiang Jiang, Nguyen Thi Ai Nhung, Pham Van Tat

Structural variations and chemical bonding in platinum complexes of Group 14 heavier tetrylene homologues (germylene to plumbylene)

Ab initio Intermolecular Potential Energy Surface and Calculation of Second Virial Coefficients for the Cl2–Cl2 Dimer

Comparison for Bonding Situation between Tetrylone and Tetrylene Ligands of Tungsten Tetracarbonyl Complexes: A Theoretical Study

Structures, energies, and bonding analysis of monoaurated complexes with N-heterocyclic carbene and analogue

An insight into Csp−H∙∙∙π hydrogen bonds and stability of complexes formed by acetylene and its substituted derivatives with benzene and borazine

Differences and Similarities of Structures, Bond Dissociation Energy, and Molecular Orbitals of Borane Complexes with Tetrylone and Tetrylene Ligands: Do Divalent Tetrylenes(II) Have Hidden Divalent Tetrylones(0) Chemistry Character?

Unusual bonding of borane complexes with N-heterocyclic carbene and analogues [H3B-{NHEMe}] with E = C to Pb

Transition metal complexes of NHE ligands [(CO)4-{NHE}] with E = C-Pb as tracers in environmental study: structures, energies and natural bond orbital of molecular interaction

Quantum chemical investigation for structures and bonding analysis of molybdenum tetracarbonyl complexes with N-heterocyclic carbene and analogues: helpful information for plant biology research

Prediction of second virial coefficients of gases chlorine, nitrogen, carbon monoxide and argon using artificial neutral network and virial equation of state

Theoretical study for E2H2, E2H2AuCl, E2H2(AuCl)2 complexes (E=N-Bi): Geometries, atoms in molecules, and natural bond orbital analyses

Thermodynamic properties of vapor-liquid equilibria for gases CO and N2 in mixture of greenhouse gases

A Dansyl-diethylenetriamine-thiourea Conjugate as a Fluorescent Chemodosimeter for Hg2+ Ions in Water Media

Energy decomposition analysis and natural orbital for chemical valence of complexes with N-Heterocyclic carbene and analogues

Prediction of second virial coefficients of gases chlorine, nitrogen, carbon monoxide and argon using artificial neutral network and virial equation of state

Theoretical exploitation of donor-acceptor ability in low-valent group-14 elements complexes [E(PPh3)2SiH2]2+ (E=C–Pb) using energy decomposition analysis

Study on synthesis of CdMoO4/GO/C3N4 photocatalytic material by direct method

Complexes of SiH22+ with carbodiphosphorane and analogues in unusual bonding mode

Natural bond orbital analysis of molecular interactions: Theoretical study of W(CO)5 complexes with E(PH3)2 and NHEMe ligands (E = C-Pb)

Practical intermolecular potentials and second virial coefficient for energy and environmental researches

Bonding situation of [(CO)4W-{NHEMe}] (E = C – Pb): Helpful information for environmental research

Comparison of Density Functional Theory (DFT) Calculations for bonding situation between complexes of carbodiphosphorane and N-Heterocyclic carbenes

A highly sensitive fluorescent chemosensor for simultaneous determination of Ag(I), Hg(II), and Cu(II) ions: Design, synthesis, characterization and application

A new rhodamine-based fluorescent chemodosimeter for mercuric ions in water media

Calculation of virial coefficients of binary mixtures of inorganic gases from critical properties of natural gases using neuro-fuzzy technique

A comparison for donor-acceptor interactions between E(PH3)2 and NHEMe ligands (E = C to Pb) of W(CO)5 complexes using energy decomposition analysis natural orbitals for chemical valance theory

Structure and Bonding of Tetrylone Complexes [(CO)4W{E(PPh3)2}] (E = C - Pb)

Direct hydrothermal synthesis of mesoporous Sn-SBA-16 materials under weak acidic condition

Transition Metal Complexes of Tetrylones [(CO)5W-{E(PPh3)2}] and Tetrylenes [(CO)5W-NHE] (E = C - Pb). A Theoretical Study

A Theoretical study of Chemical bonding of (CO)4W-E(PPh3)2 complexes (E = C - Pb)

Bonding situation in (CO)5W-E(PPh3)2 complexes with E = C - Pb

Unusual Group 15 double bond contraction upon mono-and di-auration of E2R2 compounds

Density functional theory study of methanol adsorption and dissociation on 2Cu/ZnO (1010) catalyst surface

A quantum chemical study on the use of complexes between Hg(II) ions and fluorescent ligands for detection of cysteine

A theoretical study on donor-acceptor interaction in the complexes [Mo(CO)5-C(AlCp*)2 and [Mo(CO)5-C(GaCp*)2

Quantum Chemical Assessment of magnesium hybride complexes with bistriphenylphosphine of group 14 elements [H2Mg-{E(PPh3)2}] (E = C to Pb)

Structure and property of complexes of group 13 diyl containing subvalent silylone using energy decomposition analysis with natural orbitals for chemical valence

Determining parameters of lennard-jones potential and calculation of virial coefficients of molecular systems using critical properties and artificial neural network

Novel QSPR modeling of stability constants of complexes between metal ions with thiosemicarbazones using MLR and ANN methods

Interaction of ethanethiol with carbon dioxide and water: structure, stability and cooperativity

Carbone complexes with Molybdenum pentacarbonyl and Group 13 diyl Mo(CO)5-C(XCp*)2 (X = B – Tl): Structure and nature of chemical bonding

Calculations of the density and glass transition temperature Tg of oxide glasses CaO-Al2O3-SiO2 and Na2O-B2O3-SiO2 using QCPR model

Comparison of density functional theory calculations for energy and structural differences between ligands E(PH3)2 and NHEMe of tungsten pentacarbonyl complexes (E = C, Si, Ge, Sn, Pb)

Coordination complexes of slightly bulky carbone with Group-13 diyls: Structure and Bonding analysis

A theoretical assessment for chemical bonding of borane complexes with NHEMe ligands [H3B-{NHEMe}] (E = C – Pb): New applications in environmental sciences

Nghiên cứu cấu trúc và bản chất liên kết hóa học của một số hợp chất chứa phối tử linh hoạt tetrylenes tetrylones và các phối tử liên quan khác bằng phương pháp hóa lượng tử

Nghiên cứu các phức tương tác của một số hợp chất hữu cơ có nhóm chức với CO2 và H2O bằng phương pháp hóa học lượng tử

Nghiên cứu cấu trúc và bản chất liên kết hóa học của một số hệ phức kim loại chuyển tiếp chứa phối tử pentamethylcyclopentadienyl (Cp*) và nhóm 13 diyl (ECp*)1;2 (E = B – Tl) bằng tính toán hóa lượng tử

Nghiên cứu tạo hệ mang thuốc ung thư trên cơ sở vật liệu khung kim loại (tâm Fe3+)-hữu cơ (polyetylen glycol) bằng quy trình tổng hợp xanh

Nghiên cứu tạo hệ mang thuốc ung thư trên cơ sở vật liệu khung kim loại (tâm Fe3+) – hữu cơ (polyetylen glycol) bằng quy trình tổng hợp xanh

Nghiên cứu các phức tương tác của một số hợp chất hữu cơ có nhóm chức với CO2 và H2O bằng phương pháp hóa học lượng tử

Nghiên cứu cấu trúc và bản chất liên kết hóa học của một số hệ phức kim loại chuyển tiếp chứa phối tử pentamethylcyclopentadienyl (Cp*) và nhóm 13 diyl (ECp*)1;2 (E = B–Tl) bằng tính toán hóa lượng tử

Nghiên cứu cấu trúc và bản chất liên kết hóa học của một số hợp chất chứa phối tử linh hoạt tetrylone, tetrylene và các phối tử liên quan khác bằng phương pháp hóa lượng tử

Nghiên cứu điều chế chitin/chitosan tan trong nước và khảo sát quá trình hấp phụ Cd(II) của chitosan

Nghiên cứu áp dụng quy trình xử lý nước trong việc khôi phục cảnh quan của hồ Hoà Bình- Huế

Phát triển nông nghiệp và phục hồi các công trình thuỷ lợi ở huyện Phú Vang, tỉnh Thừa Thiên Huế, Việt Nam.