Synthesis, spectral, quantum chemical, biological, molecular docking and mathematical investigations of piperidin-4-one oxime picrates

Synthesis, spectral, stereochemical, biological, molecular docking and DFT studies of 3-alkyl/3,5-dialkyl-2r,6c-di(naphthyl)piperidin-4-one picrates derivatives

(2021) S. Savithiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Mathematical and Computational Techniques for Drug Discovery: Promises and Developments

(2019) Krishnan Balasubramanian   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Tight Bounds on 1-Harmonious Coloring of Certain Graphs

(2019) Jia-Bao Liu et al.   Symmetry-Basel

Multinary metal chalcogenides with tetrahedral structures for second-order nonlinear optical, photocatalytic, and photovoltaic applications

(2018) Man-Man Chen et al.   COORDINATION CHEMISTRY REVIEWS

Combination of d 10 -cations and fluorine anion as active participants to design novel borate/carbonate nonlinear optical materials

(2018) Beenish Bashir et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Investigation on crystal growth and characterization of organic nonlinear optical triphenylmethane single crystal by vertical Bridgman technique

(2018) T. Arivazhagan et al.   JOURNAL OF CRYSTAL GROWTH

Molecular structure, vibrational spectral assignments (FT-IR and FT-Raman), UV-Vis, NMR, NBO, HOMO-LUMO and NLO properties of 3t-pentyl-2r,6c-diphenylpiperidin-4-one picrate based on DFT calculations

(2016) S. Savithiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Three algorithms for graph locally harmonious colouring

(2015) Wei Gao   JOURNAL OF DIFFERENCE EQUATIONS AND APPLICATIONS

Crystal growth and characterization of a novel inorganic–organic hybrid NLO crystal: (NH4)[Cd(NCS)3]·C12H24O6

(2013) V. Ramesh et al.   APPLIED PHYSICS B-LASERS AND OPTICS

Synthesis, stereochemical, structural and biological studies of some 2,6-diarylpiperidin-4-one N(4′)-cyclohexyl thiosemicarbazones

(2013) A. Sethukumar et al.   JOURNAL OF MOLECULAR STRUCTURE

Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks

(2011) Vladimir Stilinović et al.   CRYSTAL GROWTH & DESIGN

Photophysical Properties of Novel Picrate Derivatives – Solvent Effect

(2011) Jayaraman Jayabharathi et al.   JOURNAL OF FLUORESCENCE

Effects of protonation and co-anion on the 1H and 13C chemical shifts of 2r,6c- diphenylpiperidin-4-ones: evidence for the formation of ion pair

(2011) V. Vimalraj et al.   MAGNETIC RESONANCE IN CHEMISTRY

Synthesis and physicochemical studies of some novel picrate derivatives

(2011) Jayaraman Jayabharathi et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, growth, structural, thermal, linear and nonlinear optical properties of a new organic crystal: Dimethylammonium picrate

(2010) G. Anandha Babu et al.   JOURNAL OF CRYSTAL GROWTH

Cytotoxicity and structure–activity relationships of four α-N-heterocyclic thiosemicarbazone derivatives crystal structure of 2-acetylpyrazine thiosemicarbazone

(2009) Ming-Xue Li et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock

(2009) Zsolt Bikadi et al.   Journal of Cheminformatics

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY