DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.

The experimental FT-IR (4000-400 cm(-1)) and FT-Raman (3500-100 cm(-1)) spectra of 4-Methylmorpholine were recorded. The observed bands were interpreted with the aid of normal coordinate analysis and force field calculations based on density functional theory (DFT) using B3LYP functional theory (DFT) using B3LYP functional with 6-311+G and 6-3++G basis sets. The complete assignments were performed on the basis of the potential energy distribution (PED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method.

In vitro clonal propagation of Achyranthes aspera L. and Achyranthes bidentata Blume using nodal explants.

Objective: To develop the reproducible in vitro propagation protocols for the medicinally important plants viz., Achyranthes aspera (A. aspera) L.

Insecticidal compound isolated from Syzygium lineare Wall. (Myrtaceae) against Spodoptera litura (Lepidoptera: Noctuidae).

A new crystal compound 2,5-diacetoxy-2-benzyl-4,4,6,6-tetramethyl-1,3-cyclohexanedione was isolated from the leaves of Syzygium lineare. The insecticidal activity of the compound was assessed against fourth instar larvae of Spodoptera litura. Its activity was better than the positive control azadirachtin.

A constant-speed lowering mechanism for the crucibles.

The crystal growth characteristics of a certain material can be considerably influenced by the strain present in the growing crystal. Strain can be induced in various ways. One of the most common methods always presents in industrial processes, where attrition processes are always accompanied by generation of mechanical strain in a newly formed small crystal fragment obtained by mechanical stressing during preparation and handling.

FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.

The vibrational spectra of alpha,alpha dichlorotoluene have been recorded using PerkinElmer 521 spectrometer in the range 3600-100 cm(-1). A detailed vibrational spectral analysis has been carried out and assignments of the observed fundamental bands have been proposed on the basis of peak positions, relative intensities, fundamentals, overtones and combination bands. The fundamental vibrational frequencies, intensity of vibrational spectra and the optimized geometrical parameters of the title compound were evaluated using density functional theory (DFT) with the standard HF/6-31G(d) and were scaled using scale factor which yielded a good agreement between observed and calculated frequencies.