J Hand Surg Asian Pac Vol
August 2022
Desmoplastic fibromas of bone are extremely rare, slow growing, locally invasive, benign primary bone tumours, bearing close resemblance to the extra-abdominal desmoid tumours of soft tissue. They typically occur in patients around 30 years of age, and most commonly affect the mandible, pelvis and meta-diaphyseal region of long bones. En bloc or wide resection has typically been the treatment of choice to avoid recurrence, however, recent reports support curettage with bone grafting and adjuvant therapy to minimise functional loss.
View Article and Find Full Text PDFRecently, the negative ion photoelectron spectrum of CO3- was reported and the second lowest energy band is assigned to the close-lying 3E'' and 3E' states that undergo Jahn-Teller distortions (Chem. Sci., 2016, 7, 1142).
View Article and Find Full Text PDFThe following one-dimensional model potential barriers are studied to compute the tunneling probabilities using semiclassical transition state theory (SCTST) based on fourth order vibrational perturbation theory (VPT4): (i) Morse barrier, (ii) asymmetric Eckart barrier, (iii) adjacent well barrier, and (iv) first order approximation to the symmetric Eckart barrier. The current investigation extends a previous study performed for the symmetric Eckart barrier. The performance of VPT4-SCTST is investigated for a broad range of energies, including the very deep tunneling regime (approximately 1% of the barrier height), and the results are compared to the exact quantum mechanical treatment, as well as to the popular second order vibrational perturbation theory (VPT2)-SCTST approach.
View Article and Find Full Text PDFWe propose a new scheme for time-resolved photoelectron spectroscopy denoted as pump-repump-continuous wave-photoelectron spectroscopy (prp-cw-pes). This scheme is comprised of two femtosecond laser (pump) pulses under cw illumination (probe). By changing the time-delay between pump and repump lasers one can manipulate the populations of vibronic levels in electronic excited states.
View Article and Find Full Text PDFWe report the first attempt to design small intramolecular singlet fission chromophores, with the aid of quantum chemistry and explicitly simulating the time evolution of state populations using quantum dynamics method. We start with three previously proposed azaborine-substituted intermolecular singlet fission chromophores. Through analyzing their frontier orbital amplitudes, we select a BN-substituted azulene as the building block.
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