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44 та иш

Иш: Exploring the non-covalent interactions, vibrational and electronic properties of 2-methyl-4-hydro-1,3,4-triazol-thione-5 in different solutions

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
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
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
Isabel Rozas, Ibón Alkorta, José Elguero
Мақола200016 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
Atoms in molecules
R. F. W. Bader
Мақола198514 иқтибос
ABI
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
Timo Koopmans
Мақола193412 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
Definition of Molecular Structure: By Choice or by Appeal to Observation?
Richard F. W. Bader
Мақола20108 иқтибос
ABI
Intermolecular interaction study of l-Threonine in polar aprotic Solvent: Experimental and theoretical study
Neelam Chetry, Th. Gomti Devi
Мақола20218 иқтибос
ABI
1,2,3-Triazole-containing hybrids as leads in medicinal chemistry: A recent overview
Khurshed Bozorov, Jiangyu Zhao, Haji Akber Aisa
Шарҳ мақолаClick Chemistry and ApplicationsBioorganic & Medicinal Chemistry20197 иқтибос
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Role of Frontier Orbitals in Chemical Reactions
Kenichi Fukui
Мақола19824 иқтибос
ABI
Sulfamic acid/water complexes (SAA-H2O(1-8)) intermolecular hydrogen bond interactions: FTIR,X-ray, DFT and AIM analysis
Аleksandr S. Kazachenko, Mouna Medimagh, Noureddine Issaoui +6
Мақола20224 иқтибос
ABI
DFT and molecular docking study of the effect of a green solvent (water and DMSO) on the structure, MEP, and FMOs of the 1-ethylpiperazine-1,4-diium bis(hydrogenoxalate) compound
Mouna Medimagh, Cherifa Ben Mleh, Noureddine Issaoui +5
Мақола20223 иқтибос
ABI
Synthesis, structural studies and biological activities of three new 2-(pentadecylthio)-5-aryl-1,3,4-oxadiazoles
Muhammad Naeem Ahmed, Khawaja Ansar Yasin, Shahid Hameed +4
Мақола20162 иқтибос
ABI
Triazoles and Their Derivatives: Chemistry, Synthesis, and Therapeutic Applications
Mohammed Mahbubul Matin, Priyanka Matin, Md. Rezaur Rahman +6
Шарҳ мақола20222 иқтибос
ABI
Transition metal loaded carbon penta-belt SACs for hydrogen and oxygen evolution reactions and identification of systematic DFT method to characterize the main interacting orbital for non-periodic system
Abdulrahman Allangawi, Khurshid Ayub, Mazhar Amjad Gilani +2
Мақола20232 иқтибос
ABI
Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis
Muhammad Zahid, Naveen Kosar, Hasnain Sajid +3
Мақола20232 иқтибос
ABI
Сарлавҳасиз
Бошқа2 иқтибос
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Сарлавҳасиз
Бошқа1 иқтибос
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Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
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