Results 191 to 200 of about 1,771,283 (231)

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

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

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

A rhodanine derivative as a potential antibacterial and anticancer agent: crystal structure, spectral characterization, DFT calculations, Hirshfeld surface analysis, in silico molecular docking and ADMET studies

Journal of Molecular Structure, 2023
Amal Guerraoui, Meriem Goudjil, Amani Direm, A. Guerraoui, İ. Şengün, C. Parlak, A. Djedouani, L. Chelazzi, F. Monti, E. Lunedei, Abdecharif Boumaza   +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

Synthesis, Crystal Structure, Hirshfeld Surface Analysis of bis(N,N-Diethylenediamine)Cadmium(II)] Dichloride

Journal of Structural Chemistry, 2023
N. Dege
semanticscholar   +1 more source

Synthesis, Characterization and Hirshfeld Surface Analysis of Some Thiosemicarbazones Containing a Five-Membered Ring

Journal of Structural Chemistry, 2023
I. Ozturk
semanticscholar   +1 more source

Two novel quinoline-decorated half-salamo-type Co(II) complexes: Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculation and fluorescence properties

Journal of Molecular Structure, 2023
Li Tong, Li Man, Xun Li, W. Dong
semanticscholar   +1 more source

ONO-Pincer Zn(II) & Cd(II) Complexes: Synthesis, Structural Characterization, Hirshfeld Surface Analysis and CT-DNA Interactions

Journal of Molecular Structure, 2023
Sara Masood, M. Jamshaid, M. N. Zafar, E. Mughal, Muhammad Ashfaq, Muhammad Mohsin Tahir   +5 more
semanticscholar   +1 more source

Crystal Structures, Hirshfeld Surface Analysis and DFT Studies of Sulfonamide Derived Schiff base Mn (II), Co (II) and Ni (II) Complexes

Applied organometallic chemistry, 2023
Shehnaz, W. Siddiqui, A. Ashraf, Muhammad Ashfaq, M. Tahir, Shanawer Niaz   +5 more
semanticscholar   +1 more source