Ushbu ishga iqtibos qilgan ishlar

110 ta ish

Ish: Multiwfn: A multifunctional wavefunction analyzer

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
The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1 M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study
Yeestdev Dewangan, Bhaskaran Bhaskaran, Vivek Kumar Mishra +7
MaqolaCorrosion Behavior and InhibitionThe European Physical Journal Plus20252 iqtibos
ABI
Heavy pnicogen atoms as electron donors in sigma-hole bonds
Akhtam Amonov, Steve Scheiner
MaqolaInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20232 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
Multiple investigations of aqueous Eu(<scp>iii</scp>)–oxalate complexes: the reduction in coordination number and validation of spectral linear correlation
Dongfan Xian, Wanqiang Zhou, Jingyi Wang +7
MaqolaLanthanide and Transition Metal ComplexesDalton Transactions20211 iqtibos
ABI
Low-temperature and high-rate Zn metal batteries enabled by mitigating Zn2+ concentration polarization
Jiawei Wang, Qiaonan Zhu, Feng Li +6
MaqolaAdvanced battery technologies researchChemical Engineering Journal20221 iqtibos
ABI
Synthesis, Crystal structure, Hirshfeld surface, Thermal analysis and DFT Calculations of Zn(II) complex of mixed ligand from 2,4-dichlorophenoxy acid (2, 4-D) and ethylenediamine (en)
Bekmurod Kh. Alimnazarov, Khayit Turaev, Suyunov Jabbor Ro'ziboyevich +9
MaqolaMetal complexes synthesis and propertiesChemical Data Collections20241 iqtibos
ABI
High Performance Deep Blue Organic Room Temperature Phosphorescence: 4.64 s Ultra‐Long Lifetime and 60.4% Quantum Efficiency Balanced by Simple Phosphor Heteroatom Modulation
Dong Ding, Xinyue Xu, Feng Li +3
MaqolaLuminescence and Fluorescent MaterialsSmall20251 iqtibos
ABI
Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide
А. Jumabaev, Utkirjon Holikulov, Shavkat Yormatov +1
MaqolaSilicon and Solar Cell TechnologiesVibrational Spectroscopy20251 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
Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites
Akhtam Amonov, Steve Scheiner
MaqolaCrystallography and molecular interactionsChemPhysChem20251 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
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
Petal-graphyne as a novel 2D material for the detection of phosgene hazards gas: DFT perspective
Bhishma Karki, Kamel A. Saleh, Omayma Salim Waleed +8
Maqola2D Materials and ApplicationsMaterials Chemistry and Physics20261 iqtibos
ABI
Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study
Elizaveta V. Panova, Bakhtiyor Sh. Ganiev, Kuvondik G Avezov +3
MaqolaPhosphorus compounds and reactionsNew Journal of Chemistry20261 iqtibos
ABI
Competition between Binding to Various Sites of Substituted Imidazoliums
Akhtam Amonov, Steve Scheiner
MaqolaCrystallography and molecular interactionsThe Journal of Physical Chemistry A20231 iqtibos
ABI
Two new C19-diterpenoid alkaloids from Aconitum smirnovii
Bo Zhao, Nurfida Ablajan, Jiangyu Zhao +3
MaqolaPlant-based Medicinal ResearchPhytochemistry Letters20201 iqtibos
ABI
A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates
Liang Dong, Jun Wen, Weiyi Li
MaqolaChemical Reaction MechanismsOrganic & Biomolecular Chemistry20150 iqtibos
ABI
A mechanistic study on guanidine-catalyzed chemical fixation of CO2with 2-aminobenzonitrile to quinazoline-2,4(1H,3H)-dione
Weiyi Li, Na Yang, Ya-Jing Lyu
MaqolaCarbon dioxide utilization in catalysisOrganic Chemistry Frontiers20160 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
Binding affinity of pyridines with AmIII/CmIII elucidated by density functional theory calculations
Jie Yu, Jun Ma, Chu‐Ting Yang +1
MaqolaRadioactive element chemistry and processingDalton Transactions20180 iqtibos
ABI
Sarlavhasiz
Gulsayir Kurbaniyazova, Farhod I. Karimov, Alexander N. Sennikov +79
BoshqaUniversum Chemistry & biology20200 iqtibos
ABI
Problems of Visualization and 3d Modeling in Chemistry: Analysis of Electronodonor Properties and Spatial Complex-Forming Structure of the Obtained Sulfocationite
С. М. Турабджанов, A. G. Eshimbetov, Abdusamat Nabiev +1
BobInorganic and Organometallic ChemistryAdvances in intelligent systems and computing20210 iqtibos
ABI
Structural characterization of benzketozone monohydrate
Umida Tillaeva, Jamshid Ashurov, Gulnora Tillaeva +2
MaqolaCrystal structures of chemical compoundsZeitschrift für Naturforschung B20220 iqtibos
ABI
Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds
Akhtam Amonov, Steve Scheiner
MaqolaCrystallography and molecular interactionsChemPhysChem20230 iqtibos
ABI

Ushbu ishga iqtibos qilgan ishlar

DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug

The novel inhibitive action of the N-(p-ethylphenyl)thiobenzohydroxamic acid for mild steel in 1 M HCl medium: electrochemical, thermodynamic, DFT, and MD simulation study

Heavy pnicogen atoms as electron donors in sigma-hole bonds

Density functional theory assessments of an iron-doped graphene platform towards the hydrea anticancer drug delivery

Multiple investigations of aqueous Eu(<scp>iii</scp>)–oxalate complexes: the reduction in coordination number and validation of spectral linear correlation

Low-temperature and high-rate Zn metal batteries enabled by mitigating Zn2+ concentration polarization

Synthesis, Crystal structure, Hirshfeld surface, Thermal analysis and DFT Calculations of Zn(II) complex of mixed ligand from 2,4-dichlorophenoxy acid (2, 4-D) and ethylenediamine (en)

High Performance Deep Blue Organic Room Temperature Phosphorescence: 4.64 s Ultra‐Long Lifetime and 60.4% Quantum Efficiency Balanced by Simple Phosphor Heteroatom Modulation

Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide

DFT investigation of adsorption and potential detection of 5FU anti-cancer drug on the silicon decorated tetragonal boron nitride monolayer

Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites

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

Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

Petal-graphyne as a novel 2D material for the detection of phosgene hazards gas: DFT perspective

Synthesis and structural elucidation of a trifluoromethylated cyclopentene hydrazone: a combined X-ray and computational study

Competition between Binding to Various Sites of Substituted Imidazoliums

Two new C19-diterpenoid alkaloids from Aconitum smirnovii

A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates

A mechanistic study on guanidine-catalyzed chemical fixation of CO<sub>2</sub>with 2-aminobenzonitrile to quinazoline-2,4(1H,3H)-dione

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

Binding affinity of pyridines with Am<sup>III</sup>/Cm<sup>III</sup> elucidated by density functional theory calculations

Sarlavhasiz

Problems of Visualization and 3d Modeling in Chemistry: Analysis of Electronodonor Properties and Spatial Complex-Forming Structure of the Obtained Sulfocationite

Structural characterization of benzketozone monohydrate

Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds