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Results: 969
Transferable force field for metal-organic frameworks from first-principles
We present an ab-initio derived forcefield to describe the structural and mechanical properties of metal-organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs...
Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3
We report a theoretical evaluation of the properties of iron and titanium impurities in sapphire (corundum structured α-Al2O3). Calculations using analytical force fields have been performed on the defect structure with the...
Transferable force field for metal-organic frameworks from first-principles
We present an ab-initio derived forcefield to describe the structural and mechanical properties of metal-organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs...
Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66
Jessica Bristow, Katrine Svane, Davide Tiana, Jonathan Skelton, Julian D. Gale, Aron Walsh
May 05, 2016
We report an investigation of the `missing-linker phenomenon' in the Zr-based metal-organic framework UiO-66 using atomistic forcefield and quantum chemical methods. For a vacant benzene dicarboxylate ligand, the lowest energy...
Defect chemistry of Ti and Fe impurities and aggregates in Al 2 O 3
We report a theoretical evaluation of the properties of iron and titanium impurities in sapphire (corundum structured α-Al2O3). Calculations using analytical force fields have been performed on the defect structure with the...
Free Energy of Ligand Removal in the Metal-Organic Framework UiO-66
Jessica Bristow, Katrine Svane, Davide Tiana, Jonathan Skelton, Julian D. Gale, Aron Walsh
May 05, 2016
We report an investigation of the `missing-linker phenomenon' in the Zr-based metal-organic framework UiO-66 using atomistic forcefield and quantum chemical methods. For a vacant benzene dicarboxylate ligand, the lowest energy...
Microscopic origin of the optical processes in blue sapphire
Jessica K. Bristow, Stephen C. Parker, C. Richard A. Catlow, Scott M. Woodley, Aron Walsh
Jun 21, 2013
Al2O3 changes from transparent to a range of intense colours depending on the chemical impurities present. In blue sapphire, Fe and Ti are incorporated; however, the chemical process that gives rise to the colour has long been...
Microscopic origin of the optical processes in blue sapphire
Jessica K. Bristow, Stephen C. Parker, C. Richard A. Catlow, Scott M. Woodley, Aron Walsh
Jun 21, 2013
Al2O3 changes from transparent to a range of intense colours depending on the chemical impurities present. In blue sapphire, Fe and Ti are incorporated; however, the chemical process that gives rise to the colour has long been...
Beyond the Surface
Jessica Kahlow
Jan 01, 2024
This study uses the online disinhibition effect as a theoretical framework for understanding disclosures of ADHD on non-anonymous (Facebook) and anonymous (Reddit) channels. Specifically, a quantitative content analysis compared...
Published by: IGI Global Scientific Publishing
Constructing Culturally-Authentic Differentiated Access Points Using the Content Imperatives
The need to create culturally authentic and specific learning experiences is a call to action that all teachers must answer. Current definitions of differentiation either avoid or exclude topics of culture and race. These...
Published by: IGI Global Scientific Publishing
Using "Click Chemistry" to Assemble DNA-Conjugated Dendrimersomes
Paige Bristow
Jan 01, 0001
Among the current selection of modern drugs, most are hydrophobic causing insolubility in the aqueous bloodstream. In order to improve solubility, vesicles similar to a cell's lipid bilayer can be formed to carry the hydrophobic...
Janus dendrimers Drug delivery vesicles amphipathic cargo targeting ligands Biochemistry Biochemistry, Biophysics, and Structural Biology Life Sciences Medicinal-Pharmaceutical Chemistry Molecular Biology Nucleic Acids, Nucleotides, and Nucleosides Pharmaceutical Preparations Polymer Chemistry
Published by: Ursinus College
Can Health Outcomes and Inequalities be Improved While Containing Costs? The Role of Voluntary Health Insurance in Universal Health Care Systems in the OECD
Paige Bristow
Jan 01, 0001
While European countries have improved health outcomes through universal healthcare systems (UHC), they also face pressures to contain the high cost of these systems. In order to control expenses, governments have reduced...
universal healthcare sex-based inequalities voluntary health insurance Poland Latvia Sweden Netherlands Health Services Administration International Relations Political Science Social and Behavioral Sciences Women's Health
Published by: Ursinus College
Online Self-Identities, Social Norms, and the Performance of Self in Real-Life
Jessica Campbell
Apr 01, 2018
Social networking sites (SNSs) first emerged as online public spaces where individuals could share user-generated content, communicate, and connect. As individuals became more and more invested in online sociality, SNSs diverged...
Published by: IGI Global Scientific Publishing
Facebook, Social Comparison, and Subjective Well-Being
Jessica Joseph
Jul 26, 2019
Facebook use has implications for subjective well-being. Previous research has revealed that passive Facebook use is typically related to deficits in subjective well-being, which is thought to be linked through upward social...
Social Networking Social Sciences and Humanities Human Aspects of Technology Media and Communications
Published by: IGI Global Scientific Publishing
Winthrop Bookstore to Host Nov. 15 Book Signing for Three Authors
Winthrop University
Jan 01, 0001
Alumna Jessica Leake '07, '08, former Winthrop employee Margaret Garrison and Carol Injaychock will autograph books Nov. 15 at 10 a.m. at the Winthrop Bookstore. The signing is free and open to the public.
Published by: Winthrop University
The Home and Community Connections Model
A major myth of gifted education is the idea that gifted and advanced learners should already possess the knowledge and skills necessary to engage in rigorous learning experiences. This myth reinforces the underrepresentation of...
Education Special Education Special Education Social Sciences and Humanities Medicine and Healthcare
Published by: IGI Global Scientific Publishing
Using Click Chemistry to Assemble DNA-Conjugated Dendrimersomes for Targeted Delivery Applications
Paige Bristow
Jan 01, 0001
Among the current selection of modern drugs, most are hydrophobic causing insolubility in the bloodstream. In order to improve solubility, vesicles similar to a cell's lipid bilayer can be formed to carry the hydrophobic cargo...
Drug delivery biosynthesis janus dendrimer transferrin receptor Biochemistry Biochemistry, Biophysics, and Structural Biology Life Sciences
Published by: Ursinus College
Beliefs in Online Professional Learning in Early Mathematics Teaching and Their Effects on Course Engagement
This study focused on the effects of an early math online professional learning course offered to preschool teachers. The course was designed to inform participants' knowledge of developmental progressions and promote daily...
Published by: IGI Global Scientific Publishing
The Ursinus College Investment Management Company Newsletter, Fall 2022
Inside this issue:
At a Glance
Letter from Jessica Gutekunst '23
Letter from Michael Magargee '23
Investment Team Strategies and Updates
UCIMCO Investment Performance and Analysis
Endowment Outlook
Stock Selection Picks
Women's...
UCIMCO Endowment portfolio management stock selection Investment performance Ursinus College Business Finance and Financial Management Portfolio and Security Analysis
Published by: Ursinus College
The Effect of Dance Education on College Students' Artistic Quality Under the New Media
Cultivating diversified and high-quality talents is the mode of cultivating talents in higher quality education. Aiming at the effect of the innovation of dance education system, the authors study the change of its influence on...
Published by: IGI Global Scientific Publishing
Residence Life Staff Member Helps with Oklahoma Tornado Clean-up Efforts
Winthrop University
Jan 01, 0001
Jessica Martin, a Winthrop residential learning coordinator, volunteered July 3-7 to help with tornado clean-up efforts through offices at University of Oklahoma, her alma mater for her graduate degree. This is the first time...
Published by: Winthrop University
Unconventional localization of electrons inside of a nematic electronic phase
Liam S. Farrar, Zachary Zajicek, Archie B. Morfoot, Matthew Bristow, Oliver S. Humphries, Amir A. Haghighirad, Alix McCollam, Simon J. Bending, Amalia I. Coldea
Oct 25, 2022
The magnetotransport behavior inside the nematic phase of bulk FeSe reveals unusual multiband effects that cannot be reconciled with a simple two-band approximation proposed by surface-sensitive spectroscopic probes. In order...
Leading Through a Crisis
In response to the COVID-19 pandemic, the Lamar Soutter Library was faced with moving off campus and into a remote work environment. As the crisis unfolded, it was critical for staff to experience a unified leadership team that...
Library Science Library and Information Science Library Science Computer Science and Information Technology
Published by: IGI Global Scientific Publishing
The Ursinus Weekly, February 13, 1975
Cynthia Fitzgerald, Kitt Turner, Richard Whaley, Ruth Duncan, George Geist, Marilyn Harsch
Jan 01, 0001
Forum will host Jessica Savitch Lorelei: Midnite at the oasis Forum review: Morgenthau delivers informative address on complex topic Classics performed by Temple orchestra U.C. Chaplain plans Lenten experiences Purloined...
Ursinus College Collegeville Pennsylvania newspaper Jessica Savitch KYW-TV Lorelei Forum Hans J. Morgenthau Foreign policy Temple University orchestra Lent Wismer dining hall Theft band chamber orchestra Messiah Meistersingers Photography Club Student-Alumni Committee Placement Office career counseling tuition cost inflation William Schuyler Pettit Kermit M. Stover Century II program Basketball Dale L. Irwin wrestling Swimming field hockey tournament England Adele Boyd cultural history Higher Education Liberal Studies Social History United States History
Published by: Ursinus College
24th Annual Mass Communication Week Challenges Students to "Take a Chance"
Winthrop University
Jan 01, 0001
The week's keynote speaker is Steve Brusk, political unit coverage manager for CNN. He will speak on Tuesday, Feb. 26 at 9:30 a.m. in Owens G02 and 2 p.m. in Johnson 101. An Alumni Panel of recent graduates will speak at 3:30...
Published by: Winthrop University
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