Results 251 to 260 of about 6,693,171 (268)

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, SUPRAMOLECULAR ASSEMBLY EXPLORATION BY HIRSHFELD SURFACE ANALYSIS AND COMPUTATIONAL STUDY OF 6-BROMO-2-OXO- 2H-CHROMENE-3-CARBONITRILE (BOCC)

Journal of Structural Chemistry, 2023
M. Kurbanova, Muhammad Ashfaq, Muhammad Mohsin Tahir, A. Maharramov, N. Dege, A. Koroğlu   +5 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

Structural, spectroscopic, theoretical calculation and Hirshfeld surface analyses of 3-D supramolecular dinuclear zinc(II) and copper(II) complexes

Journal of Molecular Structure, 2023
Lan-Qin Chai, Hong-Li An, Tian-Tian Chen, Ya-Yun Cai   +3 more
semanticscholar   +1 more source

Hirshfeld surface analysis

, 2009
M. Spackman, D. Jayatilaka
semanticscholar   +1 more source

Nickel(II) Coordination Polymer Using Pyrazine Linkers and Phthalate Counter-Anion: Synthesis, Crystal Structure, Hirshfeld Surface and Voids Analysis

Journal of Structural Chemistry, 2023
Q.M. Aliyeva, Muhammad Mohsin Tahir, Muhammad Ashfaq, K. Munawar, S.Y. Rahmanova, U.M. Hasanova, A.A. Rustamova, H.F. Mammadova, E. Movsumov   +8 more
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

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

Synthesis, Structural, Third-order Nonlinear Optical Properties and Hirshfeld Surface Analysis of 1-((E)-(4-chlorophenylimino)methyl)naphthalen-2-ol

Optik (Stuttgart), 2023
M. Neela, B. Premalatha, P. Punitha, T. C. S. Girisun   +3 more
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