Results 181 to 190 of about 6,148 (200)

Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

International Journal of Organic Chemistry, 2023
Takashiro Akitsu
exaly  

Quantum Chemical, experimental spectroscopic, Hirshfeld surface and molecular docking studies of the anti-microbial drug Sulfathiazole

Journal of Molecular Structure, 2021
Saleem Javed, S Savita, Aysha Fatima
exaly  

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

Polycyclic Aromatic Compounds, 2023
Larisa Alkhimova, Damir Safin, Tatyana M Burkhanova   +2 more
exaly  

Computational, spectroscopic, Hirshfeld surface, electronic state and molecular docking studies on phthalic anhydride

Journal of Molecular Structure, 2022
Saleem Javed, Ghazala Chemistry, S Savita   +2 more
exaly  

Crystal Structure, DFT Calculation, and Hirshfeld Surface Analysis of the 1-(Cyclohex-1-en-1-yl)-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-one

Crystals, 2023
Mohammed Alanazi, Ismail Hdoufane, Abdesselam Baouid   +2 more
exaly  

Hirshfeld surface analysis of mesomorphic compound

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

Crystallographic investigation, Hirshfeld surface analysis, NLO characterization and experimental spectral (UV and NMR) studies with DFT probe on(R)-9-(2-hydroxy propyl)adenine

Heliyon, 2021
J Swaminathan
exaly  

Vibrational spectra, Hirshfeld surface analysis, molecular docking studies of (RS)-N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide by DFT approach

Heliyon, 2020
M Prasath, M Govindammal
exaly  

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

Journal of Molecular Structure, 2022
Aysen Alaman Agar, Semanur Yeşilbağ
exaly  

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Journal of Applied Crystallography, 2021
Joshua Mckinnon, Dylan Jayatilaka, Peter R Spackman   +2 more
exaly