Results 251 to 260 of about 19,829 (269)

Hirshfeld Surface Method and Its Application in Energetic Crystals

Crystal Growth & Design, 2021
Shijie Li, Rupeng Bu, Rui-jun Gou, Chaoyang Zhang   +3 more
openaire   +1 more source

Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

Heliyon, 2022
R Arulraj, Oluwatoba Emmanuel Oyeneyin, Ojo Nathanael Damilare   +2 more
exaly  

Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound

Journal of Molecular Structure, 2022
Mohammad Azam, N Dege, Semanur Yesilbag
exaly  

Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study

Polycyclic Aromatic Compounds, 2023
Larisa E Alkhimova, Damir A Safin
exaly  

Two new copper (II) carboxylate complexes based on N,N,N',N'-tetramethylethyleneamine: Synthesis, crystal structures, spectral properties, dft studies and hirshfeld surface analysis

Journal of Molecular Structure, 2021
N Dege, Sevgi Kansız
exaly  

Hirshfeld surface analysis of mesomorphic compound

AIP Conference Proceedings
Partha Pratim Das, Sakuntala Gupta
openaire   +1 more source

Unsymmetrical Ni(II) Schiff base complex: Synthesis, spectral characterization, crystal structure analysis, Hirshfeld surface investigation, theoretical studies, and antibacterial activity

Journal of Molecular Structure, 2022
Hadi Kargar, Muhammad Ashfaq, Mehdi Fallah-Mehrjerdi   +2 more
exaly  

Quantum computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on sulfanilic acid: An anti-bacterial drug

Journal of Molecular Liquids, 2022
Aysha Fatima, GHAZALA CHEMISTRY, Sandhya Savita   +2 more
exaly  

Synthesis, molecular docking of 3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses

Journal of Molecular Structure, 2022
Sivakumar Sambandam, Arulraj Ramalingam, Dhandapani Arumugam   +2 more
exaly  

Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

International Journal of Organic Chemistry, 2023
exaly