Results 251 to 260 of about 6,795,183 (262)

Crystal growth, structural, hirshfeld surface analysis of Dl-2 aminobutanoate tartrate single crystal

Journal of Materials Science: Materials in Electronics, 2023
Ranjith Balu, Gautham Devendrapandi, M. Sumithra Devi, J. Rajabathar, H. Al‐Lohedan, D. Al-Dhayan   +5 more
semanticscholar   +1 more source

Investigation on Hirshfeld surface analysis, Molecular Geometry, DFT, MEP, and Molecular Docking analysis on Benzotriazole oxalate against SARS-CoV-2 virus

Journal of Molecular Structure
S. Manikandan, T. Sundareswaran, K. Jayamoorthy, G. Sasikumar   +3 more
semanticscholar   +1 more source

Structural Investigation and Hirshfeld Surface Analysis of N-(3-Chloro-4-Methylphenyl)-2-(3-Nitrobenzamido)Benzamide

Journal of Structural Chemistry, 2023
M. Ayoob, F. Hawaiz, N. Dege, S. Kansız
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

Structural elucidation, Hirshfeld surface, DFT, molecular docking and molecular dynamics studies of a novel thiazole derivative as anti-cancer drug

Journal of Molecular Structure
N. S, Santhosh C, Lohith Tn, Sharath K, Sridhar Ma, Sadashiva Mp   +5 more
semanticscholar   +1 more source

Exploration of Supramolecular Interactions, Hirshfeld Surface, FMO, Molecular Electrostatic Potential (MEP) Analyses of Pyrazole based Zn(II) Complex

Journal of the Indian Chemical Society
Suranjana Chatterjee, M. Afzal, P. C. Mandal, Ritwik Modak, Mridula Guin, S. Konar   +5 more
semanticscholar   +1 more source

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Studies of Dimeric and Polymeric Cadmium Complexes

Journal of Molecular Structure
Aliyeva Qudrat Meshedi, Munshiyeva Mina Kazim, Muhammad Ashfaq, Mehran Feizi‐Dehnayebi, M. Tahir, K. Munawar, Movsumov Elman Muhammed, N. Dege, Amirov Sahin Agamir, Mammadov Vagif Najaf   +9 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

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

Structural Elucidation, Hirshfeld Surface, FMO, Molecular Electrostatic Potential (MEP) and Fukui Function Analyses of a Quinoline Based Schiff Base Compound

Journal of Structural Chemistry
S. Halder, P. C. Mandal, M. Guin, S. Konar   +3 more
semanticscholar   +1 more source