Publications by authors named "Manish Thapa"

Introduction: Pelvic surgery is the most common cause of iatrogenic ureteral injury. The incidence of ureteric injuries varies between skilled and inexperienced surgeons. The study aims to determine the prevalence of ureteric injuries sustained during hysterectomy in a tertiary care center of Nepal.

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We describe a path-integral molecular dynamics implementation of our recently developed golden-rule quantum transition-state theory (GR-QTST). The method is applied to compute the reaction rate in various models of electron transfer and benchmarked against the exact results. We demonstrate that for systems exhibiting two or more transition states, rates computed using Wolynes theory [P.

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We explore the relation between the quantum and semiclassical instanton approximations for the reaction rate constant. From the quantum instanton expression, we analyze the contributions to the rate constant in terms of minimum-action paths and find that two such paths dominate the expression. For symmetric barriers, these two paths join together to describe the semiclassical instanton periodic orbit.

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We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy, and tunneling in an electron-transfer reaction. It is related to instanton theory but can be computed by path-integral sampling and is thus applicable to treat molecular reactions in solution.

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