Работы, на которые ссылается эта работа

Работ: 49

Работа: Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Статья2011Цитирований: 110
ABI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
Chengteh Lee, Weitao Yang, Robert G. Parr
Статья1988Цитирований: 84
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Статья1996Цитирований: 77
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
Статья1993Цитирований: 74
ABI
Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії
А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2
СтатьяSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics2022Цитирований: 19
ABI
Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities
Enrique Espinosa, Elı́es Molins, Claude Lecomte
Статья1998Цитирований: 16
ABI
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
Isabel Rozas, Ibón Alkorta, José Elguero
Статья2000Цитирований: 16
ABI
Study of formamide molecular clusters by Raman spectroscopy and quantum-chemical calculations
H. Hushvaktov, Bekzod Khudaykulov, А. Jumabaev +3
СтатьяSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals2022Цитирований: 13
ABI
Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions
Utkirjon Holikulov, Masrur Khodiev, Noureddine Issaoui +3
СтатьяNonlinear Optical Materials ResearchJournal of King Saud University - Science2024Цитирований: 11
ABI
Raman and ab initio study of intermolecular interactions in aniline
А. Jumabaev, Bekzod Khudaykulov, I. Doroshenko +2
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ABI
Noncovalent interactions in N-methylurea crystalline hydrates
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6
СтатьяCrystallography and molecular interactionsZeitschrift für Physikalische Chemie2023Цитирований: 10
ABI
Theoretical and experimental approach on investigation of ethylurea-water clusters
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6
СтатьяCrystallography and molecular interactionsZeitschrift für Physikalische Chemie2023Цитирований: 10
ABI
Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses
А. Jumabaev, Stève–Jonathan Koyambo-Konzapa, H. Hushvaktov +7
СтатьяThermodynamic properties of mixturesJournal of Molecular Modeling2024Цитирований: 8
ABI
Definition of Molecular Structure: By Choice or by Appeal to Observation?
Richard F. W. Bader
Статья2010Цитирований: 8
ABI
Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations
Michał H. Jamróz
Статья2013Цитирований: 8
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DFT Calculations of Some Important Radicals Used in the Nitroxide-Mediated Polymerization and Their HOMO‒LUMO, Natural Bond Orbital, and Molecular Electrostatic Potential Comparative Analysis
Feride Akman, Аleksandr S. Kazachenko, Noureddine Issaoui
Статья2022Цитирований: 7
ABI
Formation of Hydrogen Bonds and Vibrational Processes in Dimethyl Sulfoxide and Its Aqueous Solutions: Raman Spectroscopy and Ab Initio Calculations
А. Jumabaev, H. Hushvaktov, B. Khudaykulov +4
СтатьяSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics2023Цитирований: 7
ABI
Hydration of Sulfo and Methyl Groups in Dimethyl Sulfoxide Is Accompanied by the Formation of Red-Shifted Hydrogen Bonds and Improper Blue-Shifted Hydrogen Bonds: An ab Initio Quantum Chemical Study
Eva Mrázková, Pavel Hobza
Статья2003Цитирований: 6
ABI
Impact of non-covalent interactions on FT-IR spectrum and properties of 4-methylbenzylammonium nitrate. A DFT and molecular docking study
Mouna Medimagh, Noureddine Issaoui, Sofian Gatfaoui +4
Статья2021Цитирований: 6
ABI
Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate
J.D. Deephlin Tarika, X.D. Divya Dexlin, S. Madhankumar +2
Статья2021Цитирований: 5
ABI
Exploring the interaction of ionic liquids with Al12N12 and Al12P12 nanocages for better electrode-electrolyte materials in super capacitors
Palwasha Khan, Muhammad Jamshaid, Sobia Tabassum +5
Статья2021Цитирований: 4
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Molecular level interaction of solvents (water, benzene and DMSO) analysis of the 2-Bromo-6-nitrotoluene's reactive charge transfer, docking, and spectroscopic properties
P. Sangeetha, A. Prabakaran, Noureddine Issaoui +2
Статья2023Цитирований: 4
ABI
Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Arulraj Ramalingam, Murugavel Kuppusamy, Sivakumar Sambandam +5
Статья2022Цитирований: 4
ABI
Molecular Structure, Electronic Properties, Reactivity (ELF, LOL, and Fukui), and NCI-RDG Studies of the Binary Mixture of Water and Essential Oil of Phlomis bruguieri
Feride Akman, Azize Demirpolat, Аleksandr S. Kazachenko +4
Статья2023Цитирований: 4
ABI
Prediction of Vapor−Liquid Equilibria Data from C−H Band Shifts of Raman Spectra and Activity Coefficients at Infinite Dilution in Some Aqueous Systems
Lu Ma, Haoran Li, Congmin Wang +2
Статья2005Цитирований: 3
ABI