Ушбу ишга иқтибос қилган ишлар

25 та иш

Иш: The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

A study of H2CO•••HF Complex by Advanced Quantum Mechanical Methods
Akhtam Amonov, G. Murоdоv, К. Г. Тохадзе +2
МақолаMolecular Spectroscopy and StructureUkrainian Journal of Physics20203 иқтибос
ABI
Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsMolecules20232 иқтибос
ABI
Heavy pnicogen atoms as electron donors in sigma-hole bonds
Akhtam Amonov, Steve Scheiner
МақолаInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20232 иқтибос
ABI
Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study
Maedeh Kamel, Ebraheem Abdu Musad Saleh, Kamal Mohammadifard +4
МақолаBoron and Carbon Nanomaterials ResearchMaterials Chemistry and Physics20231 иқтибос
ABI
Competition Between Halogen Atom and Ring of Halobenzenes as Hydrogen Bond Electron Donor Sites
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsChemPhysChem20251 иқтибос
ABI
Competition between Binding to Various Sites of Substituted Imidazoliums
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsThe Journal of Physical Chemistry A20231 иқтибос
ABI
Nuclearity versus oxidation state in the catalytic efficiency of MnII/IIIazo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity
Saikat Banerjee, Paula Brandão, Antonio Bauzá +4
МақолаMetal complexes synthesis and propertiesNew Journal of Chemistry20170 иқтибос
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
МақолаGas Sensing Nanomaterials and SensorsSolid State Communications20220 иқтибос
ABI
Comparison of the Ability of N‐Bases to Engage in Noncovalent Bonds
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsChemPhysChem20230 иқтибос
ABI
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages
Vincent de Paul Zoua, Fritzgerald Kogge Bine, Ismaèl Figapka Pagoré +2
МақолаBoron and Carbon Nanomaterials ResearchComputational and Theoretical Chemistry20240 иқтибос
ABI
Spodium Bonding to Dicoordinated Group 12 Atoms
Akhtam Amonov, Steve Scheiner
МақолаSynthesis and characterization of novel inorganic/organometallic compoundsThe Journal of Physical Chemistry A20240 иқтибос
ABI
Development of pivalic acid conjugated Nafion modified glassy carbon electrode for sensitive detection of Cu(II) by electrochemical approach
Tayyeba Noreen, Amna Siddique, Tahir Ali Sheikh +12
МақолаElectrochemical Analysis and ApplicationsInorganica Chimica Acta20240 иқтибос
ABI
Halogen Bonding to the π‐Systems of Polycyclic Aromatics
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsChemPhysChem20240 иқтибос
ABI
Types of noncovalent bonds within complexes of thiazole with CF4 and SiF4
Steve Scheiner, Akhtam Amonov
МақолаInorganic Fluorides and Related CompoundsPhysical Chemistry Chemical Physics20240 иқтибос
ABI
Semicoordinate versus σ-Hole Bonding of Group 10 Metal Atoms in a Square Planar Motif
Akhtam Amonov, Steve Scheiner
МақолаX-ray Diffraction in CrystallographyInorganic Chemistry20250 иқтибос
ABI
Replacement of hydrogen by halogen bonds within nucleic acid base pairs
Akhtam Amonov, Steve Scheiner
МақолаFluorine in Organic ChemistryNew Journal of Chemistry20250 иқтибос
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
МақолаBoron and Carbon Nanomaterials ResearchJournal of Molecular Graphics and Modelling20250 иқтибос
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
МақолаGraphene research and applicationsJournal of Photochemistry and Photobiology A Chemistry20250 иқтибос
ABI
Adjustment of the Proton‐Accepting Ability of Π‐Bonds and Lone Pairs
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsChemPhysChem20250 иқтибос
ABI
Intermolecular interactions of hydrogen-bonded complexes: IR absorption spectra and DFT calculations
G. Nurmurodova, G. Murоdоv, Gayrat Sharifov +1
МақолаNonlinear Optical Materials ResearchAIP conference proceedings20250 иқтибос
ABI
Highly efficient lanthanum- and actinium-doped B6/B8 complexes as single-atom catalysts toward superior hydrogen evolution reaction: a DFT perspective
Naveen Kosar, Tariq Mahmood, Abdulaziz A. Al‐Saadi +5
МақолаHydrogen Storage and MaterialsJournal of Molecular Modeling20250 иқтибос
ABI
Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsInorganic Chemistry20260 иқтибос
ABI
Employing Ti-doped BN nanocone for the drug delivery of hydroxyurea anticancer: outlook of DFT calculations
Narinderjit Singh Sawaran Singh, G. PadmaPriya, Subhashree Ray +9
МақолаBoron and Carbon Nanomaterials ResearchMolecular Simulation20260 иқтибос
ABI
Teetotum-shaped B18 nanocluster anchoring Pd atoms as a single-atom catalyst for enhanced electrochemical nitrogen reduction
Nagendra P. Yadav, Ghada Al-Assi, Narinderjit Singh Sawaran Singh +8
МақолаAmmonia Synthesis and Nitrogen ReductionInorganic Chemistry Communications20260 иқтибос
ABI
Effects of Halogen Bond, Hydrogen Bond, and π‐Tetrel Bond on the Internal CC Bond of Halogenated Ethylene
Akhtam Amonov, Steve Scheiner
МақолаCrystallography and molecular interactionsChemPhysChem20260 иқтибос
ABI

Ушбу ишга иқтибос қилган ишлар

A study of H2CO•••HF Complex by Advanced Quantum Mechanical Methods

Relation between Halogen Bond Strength and IR and NMR Spectroscopic Markers

Heavy pnicogen atoms as electron donors in sigma-hole bonds

Assessment of the adsorption mechanism of amantadine drug onto pristine, Si- and Ge-doped Al12N12, and Al12P12 nanocages: A comparative DFT study

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

Competition between Binding to Various Sites of Substituted Imidazoliums

Nuclearity versus oxidation state in the catalytic efficiency of Mn<sup>II/III</sup>azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity

RETRACTED: Investigation of crotonaldehyde adsorption on pure and Pd-decorated GaN nanotubes: A density functional theory study

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

A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages

Spodium Bonding to Dicoordinated Group 12 Atoms

Development of pivalic acid conjugated Nafion modified glassy carbon electrode for sensitive detection of Cu(II) by electrochemical approach

Halogen Bonding to the π‐Systems of Polycyclic Aromatics

Types of noncovalent bonds within complexes of thiazole with CF<sub>4</sub> and SiF<sub>4</sub>

Semicoordinate versus σ-Hole Bonding of Group 10 Metal Atoms in a Square Planar Motif

Replacement of hydrogen by halogen bonds within nucleic acid base pairs

DFT study of pure and Pt-decorated BN nanocone as a nanocarrier for nitrosourea anticancer drug

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

Adjustment of the Proton‐Accepting Ability of Π‐Bonds and Lone Pairs

Intermolecular interactions of hydrogen-bonded complexes: IR absorption spectra and DFT calculations

Highly efficient lanthanum- and actinium-doped B6/B8 complexes as single-atom catalysts toward superior hydrogen evolution reaction: a DFT perspective

Constructing an Optimum Receptor Based on Trifurcated Chalcogen Bonding

Employing Ti-doped BN nanocone for the drug delivery of hydroxyurea anticancer: outlook of DFT calculations

Teetotum-shaped B18 nanocluster anchoring Pd atoms as a single-atom catalyst for enhanced electrochemical nitrogen reduction

Effects of Halogen Bond, Hydrogen Bond, and π‐Tetrel Bond on the Internal CC Bond of Halogenated Ethylene