Publications by authors named "D Tanuja"
Background: Individuals who have undergone a lower limb amputation require comprehensive rehabilitation from the multidisciplinary team to ensure optimal treatment outcomes and social integration. Physiotherapists play a pivotal role within the multidisciplinary team and offer patients physical and psychosocial rehabilitative care. Determining patients' satisfaction levels and exploring factors affecting adherence to physiotherapy interventions can inform practice and improve service delivery of rehabilitation within resource poor settings such as South Africa.
View Article and Find Full Text PDFSpectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.
Spectrochim Acta A Mol Biomol Spectrosc
November 2012
Article Synopsis
- The study focuses on the molecular structure and vibrational spectra of 2,4,5-trichloroaniline (2,4,5-TClA) using experimental methods like FT-IR and FT-Raman, alongside theoretical calculations through Hartree-Fock (HF) and density functional theory (DFT).
- It finds that the B3LYP method offers better accuracy for predicting molecular vibrational frequencies compared to HF, with only minor differences between observed and calculated values.
- The research also explores various electronic properties, including HOMO/LUMO energies and potential for nonlinear optical behavior, while contributing to understanding the molecular characteristics of 2,4,5-TClA compared to aniline and chlorobenz
Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
Spectrochim Acta A Mol Biomol Spectrosc
October 2012
In the present analysis, FT-IR/FT-Raman spectra of the cyclohexanone oxime (CHO, C(6)H(11)NO) are recorded. The observed vibrational frequencies are assigned and the computational calculations are carried out by HF and DFT (B3LYP and B3PW91) methods with 6-311++G(d,p) basis set and the corresponding results are tabulated. In order to yield good coherence with observed values, the calculated frequencies are scaled by appropriate scale factors.
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