Ushbu ish iqtibos qilgan ishlar

44 ta ish

Ish: 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
Maqola2011110 iqtibos
ABI
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten
Maqola199677 iqtibos
ABI
Взаємодія валіну з молекулами води: дослідження методами DFT та раманівської спектроскопії
А. Jumabaev, Utkirjon Holikulov, H. Hushvaktov +2
MaqolaSpectroscopy and Quantum Chemical StudiesUkrainian Journal of Physics202219 iqtibos
ABI
Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities
Enrique Espinosa, Elı́es Molins, Claude Lecomte
Maqola199816 iqtibos
ABI
Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors
Isabel Rozas, Ibón Alkorta, José Elguero
Maqola200016 iqtibos
ABI
Hydrogen bonds: relation between lengths and electron densities at bond critical points
T.-H. Tang, Eugen Deretey, Svend J. Knak Jensen +1
Maqola200515 iqtibos
ABI
Atoms in molecules
R. F. W. Bader
Maqola198514 iqtibos
ABI
Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
Timo Koopmans
Maqola193412 iqtibos
ABI
Noncovalent interactions in N-methylurea crystalline hydrates
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Noureddine Issaoui +6
MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
ABI
Theoretical and experimental approach on investigation of ethylurea-water clusters
Аleksandr S. Kazachenko, Aleksandr S. Kazachenko, Utkirjon Holikulov +6
MaqolaCrystallography and molecular interactionsZeitschrift für Physikalische Chemie202310 iqtibos
ABI
Definition of Molecular Structure: By Choice or by Appeal to Observation?
Richard F. W. Bader
Maqola20108 iqtibos
ABI
Intermolecular interaction study of l-Threonine in polar aprotic Solvent: Experimental and theoretical study
Neelam Chetry, Th. Gomti Devi
Maqola20218 iqtibos
ABI
1,2,3-Triazole-containing hybrids as leads in medicinal chemistry: A recent overview
Khurshed Bozorov, Jiangyu Zhao, Haji Akber Aisa
Sharh maqolaClick Chemistry and ApplicationsBioorganic & Medicinal Chemistry20197 iqtibos
ABI
Role of Frontier Orbitals in Chemical Reactions
Kenichi Fukui
Maqola19824 iqtibos
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
Maqola20224 iqtibos
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
Maqola20223 iqtibos
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
Maqola20162 iqtibos
ABI
Triazoles and Their Derivatives: Chemistry, Synthesis, and Therapeutic Applications
Mohammed Mahbubul Matin, Priyanka Matin, Md. Rezaur Rahman +6
Sharh maqola20222 iqtibos
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
Maqola20232 iqtibos
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
Maqola20232 iqtibos
ABI
Sarlavhasiz
Boshqa2 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI