Results 31 to 40 of about 16,264,893 (304)

The First Principles of Standing

Columbia Journal of Race and Law, 2018
This Article examines the indeterminacy of standing doctrine by deconstructing recent desegregation, affirmative action, and racial profiling cases.
Christian B. Sundquist
doaj   +1 more source

First-Principles-Based Optimized Design of Fluoride Electrolytes for Sodium-Ion Batteries

Molecules, 2022
Because of the abundance and low cost of sodium, sodium-ion batteries (SIBs) are next-generation energy storage mediums. Furthermore, SIBs have become an alternative option for large-scale energy storage systems.
Shuhan Lu, Bingqian Wang, Panyu Zhang, Xiaoli Jiang, Xinxin Zhao, Lili Wang, Zhixiang Yin, Jianbao Wu   +7 more
doaj   +1 more source

First-Principles-Derived Force Fields for CH₄ Adsorption and Diffusion in Siliceous Zeolites

, 2018
Most previous studies on development of force fields for molecules in porous materials focus on prediction of adsorption properties. However, accurately reproducing adsorption data is not sufficient to guarantee the accuracy of other properties, such as ...
David S. Sholl (1270002), Peter I. Ravikovitch (1499728), Rohan Awati (2814997), Salah E. Boulfelfel (5389565), Hanjun Fang (2082991)   +4 more
core   +1 more source

Exploiting periodic first-principles calculations in NMR spectroscopy of disordered solids [PDF]

, 2013
Much of the information contained within solid-state nuclear magnetic resonance (NMR) spectra remains unexploited because of the challenges in obtaining high-resolution spectra and the difficulty in assigning those spectra.
Ashbrook, Sharon Elizabeth, Dawson, Daniel McLean, Ashbrook, Sharon Elizabeth ; id_orcid, Dawson, Daniel McLean; id_orcid   +3 more
core   +1 more source

First-principles calculations on dislocations in MgO

Science and Technology of Advanced Materials
While ceramic materials are widely used in our society, their understanding of the plasticity is not fully understood. MgO is one of the prototypical ceramics, extensively investigated experimentally and theoretically. However, there is still controversy
Shin Kiyohara, Tomohito Tsuru, Yu Kumagai   +2 more
doaj   +1 more source

Calculation of Mechanical Properties, Electronic Structure and Optical Properties of CsPbX₃ (X = F, Cl, Br, I)

Molecules, 2023
We utilized a first-principle density functional theory for a comprehensive analysis of CsPbX3 (X = F, Cl, Br, I) to explore its physical and chemical properties, including its mechanical behavior, electronic structure and optical properties ...
Yang Liu, Canxiang Fang, Shihe Lin, Gaihui Liu, Bohang Zhang, Huihui Shi, Nan Dong, Nengxun Yang, Fuchun Zhang, Xiang Guo, Xinghui Liu   +10 more
doaj   +1 more source

Exploring Spin-Phonon Coupling in Magnetic 2D Metal-Organic Frameworks

Nanomaterials, 2023
Layered magnetic metal-organic frameworks (MOFs) are an emerging class of materials that can combine the advantages of both MOFs and 2D magnetic crystals.
Diego López-Alcalá, Alberto M. Ruiz, José J. Baldoví   +2 more
doaj   +1 more source

Operationalising first year curriculum principles [PDF]

, 2009
This project builds on the First Year Curriculum Project that was carried out at the Queensland University of Technology (QUT) in 2006-2007 (QUT, 2007). One of the objectives of that project was “to develop principles for the Course Development processes
Nelson, Karen J, Clarke, John A., Duncan, Margot E, Creagh, Tracy A., Smith, Judith E, Creagh, Tracy A, Nelson, Karen J., Quinn, Carole, Duncan, Margot E., Smith, Judith E., Clarke, John A   +10 more
core   +1 more source

Bone Mineral Density After Contemporary Treatment for Acute Lymphoblastic Leukaemia: A Matched Cross‐Sectional Study

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Reduced bone mineral density (BMD) has been reported in survivors of childhood and young adult acute lymphoblastic leukaemia (ALL); however, data from cohorts treated with contemporary protocols and including matched controls remain limited.
Karen Schow Jensen, Mette Tiedemann Skipper, Niels Holtum Birkebæk, Kjeld Schmiegelow, Thomas Leth Frandsen, Bente Langdahl, Rikke Beck Jensen, Asger Roer Pedersen, Christian Mølgaard, Liv Andrés‐Jensen, Birgitte Klug Albertsen   +10 more
wiley   +1 more source

Exercise Capacity, Physical Activity, Fatigue, and Neurocognitive Function in Adult Survivors of Childhood Acute Lymphoblastic Leukemia

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Adult survivors of childhood acute lymphoblastic leukemia (ALL) are at risk of reduced exercise capacity, decreased physical activity levels, persistent fatigue, and neurocognitive deficits. The aim was to investigate exercise capacity and physical activity levels of adult survivors of childhood ALL and their associations with ...
Laura Jess, Gustaf Glavå, Simon Skau, Hans‐Georg Kuhn, Maria Bäck, Marianne Jarfelt   +5 more
wiley   +1 more source