Showing 3461 - 3470 of 5713 Items
Instability in a Time-Modulated Lattice This record is embargoed.
- Embargo End Date: 2025-05-19
Date: 2022-01-01
Creator: Evelyn Wallace
Access: Embargoed
Assessing the Accuracy of Quantum Monte Carlo Pseudopotentials for CO2 Capture in Metal Organic Frameworks
Date: 2021-01-01
Creator: Chloe Renfro
Access: Open access
- As global emissions of CO2 and other greenhouse gases rises, global warming persists as an imminent threat to the environment and every day lives. To reduce greenhouse gas emissions in the atmosphere, there is a need to design materials to separate and capture the different gasses. Current gas capturing technologies lack efficiency and have extensive energy costs. A class of materials for CO2 capture is Molecular Organic Frameworks (MOFs). In order for a MOF to be efficient for this type of separation, the MOF needs to be able to selectively bind to the gas, while also not suffering a high energy cost to remove the gas and reuse the material. Computationally calculated binding energies are used to determine the usefulness of a MOF at capture and separation of a certain gas. Each computational method has its advantages and limitations. In this work, diffusion quantum Monte Carlo is being explored. This paper focuses on the accuracy of recently developed pseudopotentials for DMC use. These pseudopotentials have been tested on smaller molecules but have not been systematically tested for systems such as MOFs. Results from a DMC calculation of Zn-MOF-74 show a binding energy of -18.02 kJ/mol with an error bound of 16.74 kJ/mol. In order to assess the accuracy of the DMC results for binding energies of this magnitude the uncertainty need to be reduced, a subject of ongoing work.
Investigating the Effects of Mixed Solvents on the Excited State Proton Transfer Mechanisms of 8-Amino-2-naphthol This record is embargoed.
- Embargo End Date: 2027-05-19
Date: 2022-01-01
Creator: Alexander Avrom Kreines
Access: Embargoed
A Conscious Image of Liberation: Euskadi Ta Askatasuna (ETA) in the Late Franco Regime, Through the Lens of the Press
Date: 2022-01-01
Creator: Sebastian de Lasa
Access: Open access
- The rise of Euskadi Ta Askatasuna (ETA) in the early 1970s coincided with the rise of national liberation movements across Europe, which largely were inspired by notable examples of resistance throughout the Global South in the decades prior. ETA’s growth over this period, and in the years prior, was heavily dependent on the image created of the organziation in the local, domestic, and international press, including through documents distributed by the group itself. By comparing ETA’s external presence to the group’s internal strife, it becomes clear that ETA made efforts to align itself with the popular revolutionary language of the period. The group took advantage of, and aimed to create press spectacles, in attempts to manipulate its public image. However, the discrepancy between the group’s public image and internal dissolution became apparent as the group pursued more violent acts in the goal of Basque liberation.
Identification of MPKs Involved in the Wall Associated Kinase Regulated Stress Response in Arabidopsis thaliana Access to this record is restricted to members of the Bowdoin community. Log in here to view.
Date: 2013-05-01
Creator: Patrick J Lariviere
Access: Access restricted to the Bowdoin Community
Characterizing Toll Receptors in the Mediterranean Cricket Access to this record is restricted to members of the Bowdoin community. Log in here to view.
- Restriction End Date: 2025-06-01
Date: 2022-01-01
Creator: Warsameh Bulhan
Access: Access restricted to the Bowdoin Community