Results 281 to 290 of about 1,209,817 (305)

Asymmetrical curcumin derivative: synthesis, structural exploration, Hirshfeld surface analysis, and computational study

Structural Chemistry
Hanna Abbo, M. Ashfaq, M. Feizi-Dehnayebi, Salam J.J. Titinchi   +3 more
semanticscholar   +1 more source

One-dimensional Polymer of Copper with Salicylic Acid and Pyridine Linkers: Synthesis, Characterizations, Solid State Assembly Investigation by Hirshfeld Surface Analysis, and Computational Studies

Journal of Molecular Structure, 2023
Alieva Qudrat M, M. Tahir, K. Munawar, Mehran Feizi‐Dehnayebi, Muhammad Ashfaq, Hasanova Saadat S, Hasanova Ulviyya M, Kerimova Tahira Q, Iskenderova Simuzer A, Alieva Shebnem C, Movsumov Elman Muhammed   +10 more
semanticscholar   +1 more source

Quantum Computational, Spectroscopic, Hirshfeld Surface Analysis of 3-Picoline (Monomer and Dimer) by DFT/TD-DFT with Different Solvents, Molecular Docking, and Molecular Dynamic Studies

, 2023
Km. Garima, Aysha Fatima, Km. Pooja, Sandhya Savita, Manoj Sharma, Mohit Kumar, S. Muthu, N. Siddiqui, S. Javed   +8 more
semanticscholar   +1 more source

A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study

Journal of Structural Chemistry
M. Kurbanova, M. Ashfaq, A. Sadigova, M. Feizi-Dehnayebi, A. Maharramov, M. Tahir   +5 more
semanticscholar   +1 more source

Photocatalytic degradation of remdesivir nucleotide pro-drug using [Cu(1-methylimidazole)4(SCN)2] nanocomplex synthesized by sonochemical process: Theoretical, hirshfeld surface analysis, degradation kinetic, and thermodynamic studies.

Environmental Research, 2023
Fazlolah Eshghi, Z. Mehrabadi, Majid Farsadrooh, P. Hayati, H. Javadian, Mehdi Karimi, H. Karimi-Maleh, Sadegh Rostamnia, C. Karaman, Fatemeh Aghababaei   +9 more
semanticscholar   +1 more source

A new organic compound (C9H12N2O2): crystal structure, characterization, Hirshfeld surface analysis, electronic properties, NLO properties, DFT calculation and molecular docking

Solid State Sciences
P. Jayaprakash, S. Selvaraj, A. R. Kumar
semanticscholar   +1 more source

Synthesis, crystal structure, BFDH morphology, Hirshfeld surface analysis and electrical characterization of the new bi-(2-amino-5-methylpyridinium) hexa-chlorostannate compound

Physica. E, Low-Dimensional systems and nanostructures
I. Garoui, S. Hajlaoui, I. Kammoun, A. Ouasri, J. Lhoste, H. Abid, A. Oueslati   +6 more
semanticscholar   +1 more source

Synthesis, Hirshfeld surface analysis, computational, wave function properties, anticancer and cytotoxicity activity of di[(p-chlorobenzyl) (dibromo)] (4,7-dimethyl-1,10-phenanthroline)tin (IV) complex

Inorganica Chimica Acta, 2023
T. Sanakarganesan, N. Elangovan, S. Chandrasekar, E. Ganesan, V. Balachandran, S. Sowrirajan, K. Balasubramani, Renjith Thomas   +7 more
semanticscholar   +1 more source

Synthesis, Single Crystal X-Ray, Hirshfeld Surface Analysis and DFT Calculation Based NBO, HOMO–LUMO, MEP, ECT and Molecular Docking Analysis of N′-[(2,6-Dichlorophenyl)Methylidene]-2-{[3-(Trifluoromethyl)Phenyl]Amino}Benzohydrazide

Journal of Structural Chemistry
A. Suhta, S. Saral, U. Çoruh, S. Karakuş, E. M. Vazquez-Lopez   +4 more
semanticscholar   +1 more source

Structure Elucidation {Single X-ray Crystal diffraction Studies, Hirshfeld Surface Analysis, DFT} and Antibacterial Studies of Sulfonamide functionalized Schiff base Copper (II) and Zinc (II) Complexes

Journal of Molecular Structure, 2023
Shehnaz, W. Siddiqui, Muhammad Asam Raza, Adnan Ashraf, Muhammad Ashfaq, Muhammad Mohsin Tahir, Shanawer Niaz   +6 more
semanticscholar   +1 more source