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Иш: Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses

Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen
Мақола2011110 иқтибос
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Мақола199677 иқтибос
ABI
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke
Мақола199374 иқтибос
ABI
Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії
А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2
МақолаSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 иқтибос
ABI
Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities
Enrique Espinosa, Elı́es Molins, Claude Lecomte
Мақола199816 иқтибос
ABI
Hydrogen bonds: relation between lengths and electron densities at bond critical points
T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen +1
Мақола200515 иқтибос
ABI
Study of formamide molecular clusters by Raman spectroscopy and quantum-chemical calculations
H. Hushvaktov, Bekzod Khudaykulov, А. Jumabaev +3
МақолаSurfactants and Colloidal SystemsMolecular Crystals and Liquid Crystals202213 иқтибос
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
МақолаNonlinear Optical Materials ResearchJournal of King Saud University - Science202411 иқтибос
ABI
Raman and ab initio study of intermolecular interactions in aniline
А. Jumabaev, Bekzod Khudaykulov, I. Doroshenko +2
МақолаMolecular spectroscopy and chiralityVibrational Spectroscopy202210 иқтибос
ABI
Noncovalent interactions in N-methylurea crystalline hydrates
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6
МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
ABI
Theoretical and experimental approach on investigation of ethylurea-water clusters
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6
МақолаCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 иқтибос
ABI
Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n = 1, …, 5): X-ray, DFT, NBO, AIM, and RDG analyses
Feride Akman, Noureddine Issaoui, Аleksandr S. Kazachenko
Мақола20209 иқтибос
ABI
Aggregation of molecules in liquid pyridine and its solutions: Raman spectra and quantum-chemical calculations
F. H. Tukhvatullin, B.G. Hudayberdiev, А. Jumabaev +2
МақолаThermodynamic properties of mixturesJournal of Molecular Liquids20109 иқтибос
ABI
Intermolecular interactions in ethanol solution of OABA: Raman, FTIR, DFT, M062X, MEP, NBO, FMO, AIM, NCI, RDG analysis
А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2
МақолаNonlinear Optical Materials ResearchJournal of Molecular Liquids20238 иқтибос
ABI
Definition of Molecular Structure: By Choice or by Appeal to Observation?
Richard F. W. Bader
Мақола20108 иқтибос
ABI
A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies
Muhammad Naeem Ahmed, Sadia Shabbir, Bakhtawar Batool +6
Мақола20218 иқтибос
ABI
Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations
Michał H. Jamróz
Мақола20138 иқтибос
ABI
Experimental and theoretical study of the sulfamic acid-urea deep eutectic solvent
Аleksandr S. Kazachenko, Noureddine Issaoui, Mouna Medimagh +7
Мақола20227 иқтибос
ABI
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
Мақола20227 иқтибос
ABI
Manifestation of Intermolecular Interactions in Raman Spectra and ab Initio Calculations of Molecular Aggregation in Liquid Ethylene Glycol
F.N. Tukhvatullin, U. N. Tashkenbaev, А. Jumabaev +3
МақолаThermodynamic properties of mixturesUkrainian Journal of Physics20147 иқтибос
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
МақолаSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics20237 иқтибос
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
Мақола20036 иқтибос
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
Мақола20215 иқтибос
ABI
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
Мақола20234 иқтибос
ABI
Solvent effects on the structural, spectroscopic, electronic properties, NCI-RDG analysis, molecular docking and molecular dynamics studies of 1-benzyl-indole-3-carbinol
Stève–Jonathan Koyambo-Konzapa, R. Premkumar, George Amolo +1
Мақола20243 иқтибос
ABI