Results 181 to 190 of about 5,850 (197)

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

Journal of Molecular Structure, 2022
Saleem Javed, S Savita, Aysha Fatima
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, Mohamed Adardour   +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  

Spectroscopic characterization (IR and NMR), structural investigation, DFT study, and Hirshfeld surface analysis of two zinc(II) 2-acetylthiophenyl-thiosemicarbazone complexes

Journal of Molecular Structure, 2021
Betul Sen
exaly  

Structural elucidation and contribution of intermolecular interactions in O-hydroxy acyl aromatics: Insights from X-ray and Hirshfeld surface analysis

Journal of Molecular Structure, 2014
Saikat Seth
exaly  

Structural elucidation, Hirshfeld surface analysis and quantum mechanical study of para-nitro benzylidene methyl arjunolate

Journal of Molecular Structure, 2011
Saikat Seth, Tanusree Kar
exaly