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Protocol for Directing Nudged Elastic Band Calculations to the Minimum Energy Pathway: Nurturing Errant Calculations Back to Convergence.

Journal of Chemical Theory and Computation, 2022
The combination of density functional theory (DFT) and the nudged elastic band (NEB) method offers a practical tool for the discovery of underlying reaction mechanisms related to the synthesis of functional materials.
Andrew W. Ruttinger, Divya Sharma, P. Clancy +2 more
semanticscholar +1 more source

Effectiveness of the flexible progestin primed ovarian stimulation protocol compared to the flexible GnRH antagonist protocol in women with decreased ovarian reserve

Human Fertility, 2020
The aim of this retrospective cohort study was to compare the effectiveness of the new flexible progestin primed ovarian stimulation (fPPOS) protocol with the flexible gonadotropin-releasing-hormone antagonist (GnRH-ant) protocol in women with decreased ...
E. Turkgeldi +5 more
semanticscholar +1 more source

Implementation of a biopsy protocol to improve detection of esophageal eosinophilia: a Danish registry-based study

Endoscopy, 2020
Background In the North Denmark Region (580 272 inhabitants), only 0–4 cases of possible eosinophilic esophagitis (EoE) were identified annually in 1999–2010, suggesting underdiagnosis.
A. Krarup +4 more
semanticscholar +1 more source

Lengthening the superstimulatory treatment protocol increases ovarian response and number of transferable embryos in beef cows.