Chemical Data Collections

Title Publication Date Language Citations
Estimating the levels of process parameters for tar and char production via fast pyrolysis of Hypericum perforatum and characterization of the products2021/06/01English
Synthesis, NMR and single crystal studies of (E)-tert-butyl 2-(3-methyl-2,6-diarylpiperidin-4-ylidene)hydrazinecarboxylates2020/10/01English
Preparation, spectral characterization and single crystal analysis of bromo derivative of 2-acetyl-1-naphthol2021/04/01English
Bonding to the underlying carbon surface of some novel one-component PFPE boundary lubricants based on anisole and hydroxyl mixture end groups2019/04/01English
Computational study of synergistic effects of electron withdrawing groups as catalysts for fullerene formation2018/12/01English
X-ray crystal structure, Hirshfeld surface analysis and DFT computations of a γ-hydroxyphosphine oxide derivative [(4‑hydroxy‑2-methylpentan-2-yl)diphenylphosphine oxide]2018/12/01English
Synthesis, crystal structure and Hirshfeld analysis of [Zn(H2O)4(ampyz)2][Zn(H2O)6](SO4)2(H2O)22018/12/01English
Short synthesis of racemic 5-hydroxy-6-hydroxymethylpiperidin-2-one2018/03/01English
Non-isothermal decomposition of 4-((4-fluoro-3-phenoxy- benzylidene) amino) benzenesulfonamide under oxygen atmosphere2017/08/01English
Comments on “Spectroscopic and volumetric study of binary liquid mixtures containing ethyl -4‑hydroxy benzoate and alkanols”2020/10/01English
Data on Z-scan studies and antimicrobial activity of 2-aminopyridine sodium nitrate (2APSN) crystal for higher order optical and pharmaceutical applications2020/10/01English
Investigation of kinetics and mechanistic studies of N-(2-hydroxyethyl)phthalimide by +1 halogen oxidant in acidic medium2020/10/01English
Structural, spectroscopic (NMR, FTIR, UV), Quantum chemical calculations and drug docking studies of 6-amino benzoxazol-2(3H)-one2020/08/01English
Temperature Dependent Stabilities of the C32 and K@C32, Ca@C32 and Sc@C32 Endohedral Metallofullerene Isomeric Set2020/08/01English
The monolayer film thickness as a function of molecular weight for perfluoropolyethers based on the n-perfluorobutylene oxide monomer unit2019/10/01English
Isolation, Identification, predictions of biological activity and molecular docking of the diterpene jateorin obtained from the stem of odontocarya tamoides (D.C.) miers2019/06/01English
A greener and microwave-mediated synthesis and spectral studies of β-aminomethylhydroxylcoumarins2019/04/01English
Crystal structure and theoretical studies of 2-bromo-N-(2,4-difluorobenzyl)benzamide; intermediate for the synthesis of phenanthridinone2019/06/01English
Reduction of nitro compounds carrying electron withdrawing groups: A convenient approach without metal catalyst2019/04/01English
DFT study of the solvation effect on an antiangiogenic deguelin analogue's structure and properties2019/04/01English
Synthesis, spectroscopic, and structural characterization of new functionalized gem-bisphosphonate complexes of tin(IV) chloride2018/12/01English
Synthesis, crystal structure studies and Hirshfeld surface analysis of novel 4-(4-(pyridin-2-ylmethyleneamino)benzyloxy)-5,7-dimethyl-2H-chromen-2-one2018/12/01English
(E)-1-(benzo [d] [1,3] dioxol-5-yl)-3-phenyl prop‑2-en-1-ones: Design, synthesis, anti-cancer activity and molecular docking studies2020/02/01English
A python analysis of mass loss related to thermogravimetric analysis of tetrachloroethylene-methyl methacrylate copolymers2019/12/01English
One-pot synthesis, crystal structure, hirshfeld, DFT and anticancer study of ethyl 2-(3-fluoro-4-methylphenyl)-1-propyl-1H-benzo[d]imidazole-5-carboxylate2020/08/01English
Quantum computational, spectroscopic and molecular docking studies of 5,5-dimethylhydantoin and its bromine and chlorine derivatives2020/10/01English
Anticancer evaluation of difunctional substituted 1,2-dihydrophthalazines2022/02/01English
Stereochemical, single crystal X-ray structural, Hirshfeld surface and cyclic voltammetric studies of N-cyclohexylcarbamoyl-3-isopropyl-2,6-bis(phenyl)piperidin-4-one and N-cyclohexylcarbamoyl-3,3-dimethyl-2,6-bis(4-fluorophenyl)-piperidin-4-one2021/10/01English
Comparison of pure component thermodynamic properties from CHEMCAD with direct calculation using the Soave–Redlich–Kwong equation of state2022/10/01English
Sulfur-bridged pyrazole-pyrimidine hybrids as promising anti-tubercular agents: Synthesis, biological evaluation, molecular docking, and toxicity prediction2022/10/01English