Ushbu ishga iqtibos qilgan ishlar

27 ta ish

Ish: cclib: A library for package‐independent computational chemistry algorithms

The molecular structure, vibrational spectra, solvation effect, non-covalent interactions investigations of psilocin
Utkirjon Holikulov, Аleksandr S. Kazachenko, Noureddine Issaoui +4
MaqolaPsychedelics and Drug StudiesSpectrochimica Acta Part A Molecular and Biomolecular Spectroscopy20246 iqtibos
ABI
DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug
Ali B.M. Ali, Ammar Yasir Ahmed, G. Padma Priya +8
MaqolaGraphene research and applicationsJournal of Molecular Graphics and Modelling20252 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
Density functional theory assessments of an iron-doped graphene platform towards the hydrea anticancer drug delivery
Mohamed J. Saadh, M. Mirzaei, Shahad Mohammed Dhiaa +4
MaqolaGraphene and Nanomaterials ApplicationsDiamond and Related Materials20232 iqtibos
ABI
Designing a graphene nanoflake for the adsorption of pyrazinamide antimicrobial drug to be used as a potential delivery platform based on DFT assessments
Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +4
MaqolaGraphene and Nanomaterials ApplicationsMicrochemical Journal20251 iqtibos
ABI
DFT investigation of adsorption and potential detection of 5FU anti-cancer drug on the silicon decorated tetragonal boron nitride monolayer
Chou-Yi Hsu, Luma Hussain Saleh, Egambergan Khudoynazarov +8
MaqolaGraphene research and applicationsJournal of Physics and Chemistry of Solids20251 iqtibos
ABI
Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate
А. Jumabaev, I. Doroshenko, А. Absanov +2
MaqolaNonlinear Optical Materials ResearchLow Temperature Physics20251 iqtibos
ABI
Synthesis and Characterization of New Fluorescent Styrene‐Containing Carborane Derivatives: The Singular Quenching Role of a Phenyl Substituent
Albert Ferrer‐Ugalde, Emilio J. Juárez‐Pérez, Francesç Teixidor +4
MaqolaBoron Compounds in ChemistryChemistry - A European Journal20110 iqtibos
ABI
RETRACTED: Investigation of crotonaldehyde adsorption on pure and Pd-decorated GaN nanotubes: A density functional theory study
Saade Abdalkareem Jasim, Maria Jade Catalan Opulencia, Ali Majdi +4
MaqolaGas Sensing Nanomaterials and SensorsSolid State Communications20220 iqtibos
ABI
A theoretical study on the application of zinc oxide nanotube for selective detection of BF3 and BCl3
Vanessa Valverde, Saade Abdalkareem Jasim, Ahmed Elawady +6
MaqolaGas Sensing Nanomaterials and SensorsPhysica B Condensed Matter20230 iqtibos
ABI
Assessments of carbon and boron nitride graphdiyne nanosheets for exploring the amphetamine drug adsorbents/sensors along with density functional theory
Mohamed J. Saadh, Sura Mohammad Mohealdeen, Chou‐Yi Hsu +5
MaqolaGraphene research and applicationsChemical Physics Impact20230 iqtibos
ABI
Assessing the metronidazole adsorption by an iron-enhanced nanocone along with DFT calculations regarding the conjugated system formations for developing the drug delivery platforms
Chou‐Yi Hsu, Mohamed J. Saadh, A.F. Mutee +6
MaqolaNonlinear Optical Materials ResearchInorganic Chemistry Communications20240 iqtibos
ABI
Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II)
Ekaterina Kinshakova, Bаtirbаy Tоrаmbеtоv, Simranjeet Kaur +2
MaqolaMetal complexes synthesis and propertiesActa Crystallographica Section E Crystallographic Communications20240 iqtibos
ABI
The potential application of zinc oxide nanotubes as sensors for NH3 detection: A DFT study
Mohamed J. Saadh, Abdulrahman Qais Khaleel, Anjan Kumar +7
MaqolaGas Sensing Nanomaterials and SensorsChemical Physics20250 iqtibos
ABI
DFT study of pure and Pt-decorated BN nanocone as a nanocarrier for nitrosourea anticancer drug
Yousef A. Bin Jardan, Fadhel F. Sead, Dharmesh Sur +6
MaqolaBoron and Carbon Nanomaterials ResearchJournal of Molecular Graphics and Modelling20250 iqtibos
ABI
DFT analysis of dimethyl fumarate interactions with B12N12 and B24 nanoclusters for enhanced anticancer drug delivery
Ali Zamani, Fadhel F. Sead, Irwanjot Kaur +3
MaqolaBoron Compounds in ChemistryComputational and Theoretical Chemistry20250 iqtibos
ABI
Anti-cancer chlorambucil drug delivery by Pt, au, and Ir-decorated ZnO nanotubes
Yousef Ahmed, Abdulrahman T. Ahmed, Mohammed Ahmed Mustafa +8
MaqolaNanomaterials for catalytic reactionsSolid State Communications20250 iqtibos
ABI
Insights into impact of polar protic and aprotic solvents on bioactive features of 3-(Dimethylaminomethyl)-5-nitroindole: A DFT study and molecular dynamics simulations
Stève–Jonathan Koyambo-Konzapa, Berthelot Saïd Duvalier Ramlina Vamhindi, Bekzod Khudaykulov +5
MaqolaFree Radicals and AntioxidantsPLoS ONE20250 iqtibos
ABI
Development of a promising sensor for the detection of 5FU anti-cancer drug with Pt-decorated Irida-graphene monolayer
Chou‐Yi Hsu, Thanaa Amir Ahmed, Egambergan Khudoynazarov +8
MaqolaGraphene research and applicationsMaterials Chemistry and Physics20250 iqtibos
ABI
Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study
Chou-Yi Hsu, Tanveer Ahmed, Muyassar Norberdiyeva +8
MaqolaGraphene research and applicationsJournal of Photochemistry and Photobiology A Chemistry20250 iqtibos
ABI
Highly sensitive anticancer drug sensor based on Al decorated tetragonal boron nitride monolayer: Its sensing mechanism by density functional theory calculation
Ayman M. Al-Qaaneh, Munthar Kadhim Abosaoda, Prakash Kanjariya +6
MaqolaBoron and Carbon Nanomaterials ResearchColloids and Surfaces A Physicochemical and Engineering Aspects20250 iqtibos
ABI
Unveiling the role of Pt doping on the sensor behavior of graphene-based ternary (Boron)x-(Nitrogen)y-(Carbon)z for (x=y=1, z=2) monolayer for detection of NO2 and SO2 gases
Mustafa Habeeb Chyad, Abdulrahman T. Ahmed, Shoira Formanova +7
MaqolaGraphene research and applicationsJournal of Molecular Graphics and Modelling20250 iqtibos
ABI
Assessing a B12C12 nanocage for the pyrazinamide drug adsorption along with DFT insights for providing drug up-take platforms
Chou‐Yi Hsu, Hadil Faris Alotaibi, Shahad Mohammed Dhiaa Younis +3
MaqolaBoron and Carbon Nanomaterials ResearchJournal of the Indian Chemical Society20250 iqtibos
ABI
Molecular docking and DFT study of rasagiline derivatives with MAO enzymes and their interaction with carbon nanostructure-based nanocarriers
Aidin Pezeshki, Milad Nouraliei, Mohammed Fanokh Al-Owaidi +3
MaqolaCarbon and Quantum Dots ApplicationsDiamond and Related Materials20250 iqtibos
ABI