Ushbu ishga iqtibos qilgan ishlar

25 ta ish

Ish: Density-functional exchange-energy approximation with correct asymptotic behavior

New triglycidyl ether triazine as a protective agent for metal: Comprehensive analysis
Mourad Rafik, Omar Dagdag, Rachid Hsissou +11
MaqolaSynthesis and Characterization of Heterocyclic CompoundsMaterials Chemistry and Physics20244 iqtibos
ABI
DFT and TD-DFT study of isomeric 5-(pyridyl)-1,3,4-oxadiazol-2-thiones and 2-methylthio-5-(pyridyl)-1,3,4-oxadiazoles
A. G. Eshimbetov, Ibodulla F. Tojiyev, A. A. Ziyaev
MaqolaSynthesis and Characterization of Heterocyclic CompoundsSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20173 iqtibos
ABI
Probing the difference in covalence by enthalpy measurements: a new heterocyclic N-donor ligand for actinide/lanthanide separation
Yanqiu Yang, Jun Liu, Liang Yang +4
MaqolaRadioactive element chemistry and processingDalton Transactions20152 iqtibos
ABI
Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ2 O 1:O 1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate
Mavlonbek Ziyaev, Jamshid Ashurov, Alisher G. Eshimbetov +1
MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsActa Crystallographica Section E Crystallographic Communications20212 iqtibos
ABI
A computer-based study on the potential flutamide drug biosensor based on transition metal modified BN nanocage
Osamah Abdulbari Khadhair, Ammar Yasir Ahmed, G. Padma Priya +8
MaqolaAdvanced biosensing and bioanalysis techniquesMicrochemical Journal20252 iqtibos
ABI
Pt decorated BN nanocage as an effective sensor material for the detection of 5-Fluorouracil anticancer drug
Chou-Yi Hsu, A. A. Abdulaziz, G.Padma Priya +8
MaqolaBoron and Carbon Nanomaterials ResearchMaterials Chemistry and Physics20262 iqtibos
ABI
Theoretical Investigation of Lead Perovskite PbXO3 (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach
Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7
MaqolaPerovskite Materials and ApplicationsEnergy & Fuels20231 iqtibos
ABI
Synthesis, Structure, and Properties of Acetoacetanilide Acetylhydrazone
Sarvinoz Zafar kizi Sattorova, H. S. Aminova, S. Abdurakhmonov +3
MaqolaCrystal structures of chemical compoundsRussian Journal of Organic Chemistry20251 iqtibos
ABI
Synthesis, structure, and assessment of aromaticity of the 1,3,4-oxadiazole ring in N- and S-alkyl derivatives of 5-phenyl-1,3,4-oxadiazol-2-thione using the Bird index
A. A. Ziyaev, R. Ya. Okmanov, Utkir S. Makhmudov +4
MaqolaStructural and Chemical Analysis of Organic and Inorganic CompoundsJournal of the Iranian Chemical Society20251 iqtibos
ABI
Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics
Zanib Fiaz, Shoaib Khan, Tayyiaba Iqbal +6
MaqolaNatural Antidiabetic Agents StudiesComputational Biology and Chemistry20261 iqtibos
ABI
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11 H -pyrido[2,1-b]quinazolin-11-ones
Akmaljon Tojiboev, Burkhon Elmuradov, Halima Mouhib +5
MaqolaQuinazolinone synthesis and applicationsActa Crystallographica Section B Structural Science Crystal Engineering and Materials20211 iqtibos
ABI
Coordination compounds of a hydrazone derivative with Co(<scp>iii</scp>), Ni(<scp>ii</scp>), Cu(<scp>ii</scp>) and Zn(<scp>ii</scp>): synthesis, characterization, reactivity assessment and biological evaluation
Berta Barta Holló, József Magyari, Stevan Armaković +6
MaqolaMetal complexes synthesis and propertiesNew Journal of Chemistry20160 iqtibos
ABI
Ab initio molecular dynamics study of the interaction of plutonium with oxygen in the gas phase
Qingqing Wang, Wenlang Luo, Xiaoli Wang +1
MaqolaNuclear Materials and PropertiesRSC Advances20170 iqtibos
ABI
Simultaneous elimination of cationic uranium(<scp>vi</scp>) and anionic rhenium(<scp>vii</scp>) by graphene oxide–poly(ethyleneimine) macrostructures: a batch, XPS, EXAFS, and DFT combined study
Zhi‐wei Huang, Zijie Li, Qun‐Yan Wu +5
MaqolaRadioactive element chemistry and processingEnvironmental Science Nano20180 iqtibos
ABI
Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings
Sergey Pyrlin, Nicholas D. M. Hine, Arjan W. Kleij +1
MaqolaMolecular Junctions and NanostructuresSoft Matter20180 iqtibos
ABI
A theoretical study an influence of oxygen group elements to rotational barrier of 2-(2'-pyridyl)-1,3,4-oxa(thia, selena and tellura) diazoles
A. G. Eshimbetov, Khamza Toshov, Inderpreet Kaur +1
MaqolaMolecular Spectroscopy and StructureBulletin of National University of Uzbekistan Mathematics and Natural Sciences20190 iqtibos
ABI
Structural characterization of benzketozone monohydrate
Umida Tillaeva, Jamshid Ashurov, Gulnora Tillaeva +2
MaqolaCrystal structures of chemical compoundsZeitschrift für Naturforschung B20220 iqtibos
ABI
Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications
L. Celestine, R. Zosiamliana, Lalrin Kima +6
MaqolaPerovskite Materials and ApplicationsJournal of Physics Condensed Matter20240 iqtibos
ABI
Unveiling the Borohydride Ion through Force-Field Development
Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5
MaqolaHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 iqtibos
ABI
DFT Study of the Possibility of Delivering Antiviral Drugs Using Chitosan
И. Н. Нургалиев, Н. Д. Бурханова
MaqolaProtein purification and stabilityJournal of Structural Chemistry20240 iqtibos
ABI
Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling
Abdullah Hasan Jabbar, Ehab Yassen Theab, Mukhlisa Soliyeva +8
MaqolaCorrosion Behavior and InhibitionChemical Physics20250 iqtibos
ABI
Unveiling the structural and electronic features of a hexamethylenetetramine complex of zinc 3-hydroxybenzoate: crystal structure, hirshfeld surface, DFT, and molecular docking studies
Giray Buğra Akbaba, Füreya Elif Öztürkkan, Elaheh Teymouri +2
MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsInorganica Chimica Acta20250 iqtibos
ABI
Syntheses, crystal structures, and DFT calculations of N'-(Pyridin-2-ylmethylene)nicotinohydrazide dihydrate and its copper complex
Ömer Aydoğdu, Füreya Elif Öztürkkan, Tuncer Hökelek +2
MaqolaMetal complexes synthesis and propertiesJournal of the Iranian Chemical Society20250 iqtibos
ABI
Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes
Yusufjon Nazarov, Khayit Kh. Turaev, Sherzod A. Kasimov +6
MaqolaMetal complexes synthesis and propertiesJournal of Molecular Structure20260 iqtibos
ABI
Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation
E. Taniş, F. Akman, U. Holikulov +4
MaqolaSynthesis and Properties of Aromatic CompoundsRussian Journal of Physical Chemistry B20260 iqtibos
ABI

Ushbu ishga iqtibos qilgan ishlar

New triglycidyl ether triazine as a protective agent for metal: Comprehensive analysis

DFT and TD-DFT study of isomeric 5-(pyridyl)-1,3,4-oxadiazol-2-thiones and 2-methylthio-5-(pyridyl)-1,3,4-oxadiazoles

Probing the difference in covalence by enthalpy measurements: a new heterocyclic N-donor ligand for actinide/lanthanide separation

Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>1′</sup>)bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)] dimethylformamide disolvate

A computer-based study on the potential flutamide drug biosensor based on transition metal modified BN nanocage

Pt decorated BN nanocage as an effective sensor material for the detection of 5-Fluorouracil anticancer drug

Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

Synthesis, Structure, and Properties of Acetoacetanilide Acetylhydrazone

Synthesis, structure, and assessment of aromaticity of the 1,3,4-oxadiazole ring in N- and S-alkyl derivatives of 5-phenyl-1,3,4-oxadiazol-2-thione using the Bird index

Tailored pyrrole-based imidazothiazole scaffolds: Synthetic elaboration, enzyme kinetic profiling and DFT-guided molecular docking toward Antidiabetic therapeutics

Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11 <i>H</i> -pyrido[2,1-b]quinazolin-11-ones

Coordination compounds of a hydrazone derivative with Co(<scp>iii</scp>), Ni(<scp>ii</scp>), Cu(<scp>ii</scp>) and Zn(<scp>ii</scp>): synthesis, characterization, reactivity assessment and biological evaluation

Ab initio molecular dynamics study of the interaction of plutonium with oxygen in the gas phase

Simultaneous elimination of cationic uranium(<scp>vi</scp>) and anionic rhenium(<scp>vii</scp>) by graphene oxide–poly(ethyleneimine) macrostructures: a batch, XPS, EXAFS, and DFT combined study

Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings

A theoretical study an influence of oxygen group elements to rotational barrier of 2-(2'-pyridyl)-1,3,4-oxa(thia, selena and tellura) diazoles

Structural characterization of benzketozone monohydrate

Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

Unveiling the Borohydride Ion through Force-Field Development

DFT Study of the Possibility of Delivering Antiviral Drugs Using Chitosan

Corrosion protection performance of eco-friendly inhibitor for zinc metal surface: Computational modeling

Unveiling the structural and electronic features of a hexamethylenetetramine complex of zinc 3-hydroxybenzoate: crystal structure, hirshfeld surface, DFT, and molecular docking studies

Syntheses, crystal structures, and DFT calculations of N'-(Pyridin-2-ylmethylene)nicotinohydrazide dihydrate and its copper complex

Synthesis, crystal structures, DFT calculations, and hirshfeld surface analysis of tris(quinolin-8-olato-κ²N,O)cobalt(III) acetic acid monosolvate and Bis(μ-quinolin-8-olato-κ²N,O)diaquabis(nitrato-κ²O,O′)dinickel(II) complexes

Solvent Effects on the Structural and Electronic Properties of Triallyl Isocyanurate: Experimental and Theoretical Investigation