To compare the burn patients undergoing early excision and grafting (within 7 days of burn injury) with the patients undergoing late surgeries (more than 7 days after burn injury) to see if there was any difference in surgical and outcome parameters including length of stay, expenditure, and overall outcome of the patients. A retrospective analysis of the data collected from the burn care unit records over a period of one year was done. Fifty-eight patients who matched with our inclusion criteria were divided into two groups.
View Article and Find Full Text PDFScale factors for (a) low (<1000 cm(-1)) and high harmonic vibrational frequencies, (b) thermal contributions to enthalpy and entropy, and (c) zero-point vibrational energies have been determined for five hybrid functionals (B3P86, B3PW91, PBE1PBE, BH&HLYP, MPW1K), five pure functionals (BLYP, BPW91, PBEPBE, HCTH93, and BP86), four hybrid meta functionals (M05, M05-2X, M06, and M06-2X) and one double-hybrid functional (B2GP-PLYP) in combination with the correlation consistent basis sets [cc-pVnZ and aug-cc-pVnZ, n = D(2),T(3),Q(4)]. Calculations for vibrational frequencies were carried out on 41 organic molecules and an additional set of 22 small molecules was used for the zero-point vibrational energy scale factors. Before scaling, approximately 25% of the calculated frequencies were within 3% of experimental frequencies.
View Article and Find Full Text PDFSpectroscopic and bonding properties of Hg(n) oligomers and *Hg(n) exciplexes are determined by rigorous theoretical treatments. Reliable values that agree well with experimental data have been computed for the luminescence energies and other molecular spectroscopic parameters by making a careful selection of theoretical methods and basis sets. The calculations clarified the assignments for several phosphorescence bands in the mercury vapor based on calculated energies and other parameters that quantify the large excited-state distortion in the emitting states.
View Article and Find Full Text PDFVarying the steric bulk of either the phosphine or the halide in Au(PR3)2X complexes allows intuitive tuning of the phosphorescence energy to multiple visible colors, including the coveted blue for LED applications. The excited-state structure involves distortion of the trigonal coordination sphere beyond a T-shape. The [Au(TPA)2]Cl complex exhibits orange phosphorescence due to exciplex formation with the counterion to form the same type of excited state, representing the first example of a luminescent two-coordinate Au(I) complex in absence of both Au.
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