Alloys
Compd. 2017;724:586-596, https:// doi.org/10.1016/j.jallcom.2017.07.116
CompD shows a relatively higher true positive and a low false positive.
Descriptor 1 2 3 4 5 6 1 1.000 0.177 0.776 0.039 -0.190 -0.559 2 1.000 0.266 0.269 -0.104 -0.255 3 1.000 0.129 -0.541 -0.592 4 1.000 -0.192 -0.497 5 1.000 0.325 6 1.000 (a) 1: ALFA polarizability (DIP), 2: WPSA-3 weighted PPSA (Zefirov's PC), 3: HASA-1-TMSA (Zefirov's PC), 4: Tot point-charge
compd. of the molecular dipole, 5: PNSA-2 total charge weighted PNSA, and 6: final heat of formation.
Abbreviations:
Compd. 1, Compound 1; FAB, fast atom bombardment; FAW, fall armyworm; HPLC, high-performance liquid chromatography; MS, mass spectrometry; MW, molecular weight; RT, retention time.
echinata, and Heliotropium dasycarpum, Chem Nat
Compd 3(4), 244, 1967.
Table 2: TGA, DTA and DSC data for the synthesized triazole derivatives Synthesis and Thermal Analysis of Some 1, 2, 4-Triazole Derivatives
Compd. Amt.
grijissi roots, leading to the isolation of eight thiophenes, and
compd. 7 is isolated from this plant for the first time.
Characterization table of 2,4-Dihydroxy 1,8--Naphthyridines
Compd Ar R 2a.
Compd.###Binding Energy Kcal/Mol.###kI uM###Inter-Mol.