Results 221 to 230 of about 921,873 (354)

Density functional theory analysis of the structural, electronic, elastic, phonon dispersion and AIMD properties of KMgX₃ (X = O, S, Se). [PDF]

RSC Adv
Awan MH, Munsif S, Habib H.
europepmc   +1 more source

Adipokines and Associations with Incident Osteoporotic Fracture in Patients with Rheumatoid Arthritis

Arthritis Care &Research, Accepted Article.
Purpose We assessed whether circulating adipokines are associated with incident fractures in patients with rheumatoid arthritis (RA). Methods Three adipokines (adiponectin, leptin, fibroblast growth factor [FGF]‐21) were measured using banked enrollment serum from participants in a longitudinal RA cohort.
Joshua F. Baker, Bryant R. England, Michael D. George, Hannah Brubeck, Brian Sauer, Aleksander Lenert, Punyasha Roul, Geoffrey M. Thiele, Ted R. Mikuls, Katherine D. Wysham   +9 more
wiley   +1 more source

The Buffering Activity of Ceria toward Reactive Oxygen Species: A Density Functional Theory Perspective. [PDF]

J Phys Chem C Nanomater Interfaces
Ta KM, Neal CJ, Coathup M, Seal S, Gillie LJ, Cooke DJ, Parker SC, Molinari M.   +7 more
europepmc   +1 more source

The Accuracy of the Pseudopotential Approximation within Density-Functional Theory [PDF]

, 2000
D. Porezag, M.R. Pederson, Amy Liu
openalex   +1 more source

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators.

Physical Review B (Condensed Matter), 1995
A. Liechtenstein, V. Anisimov, J. Zaanen
semanticscholar   +1 more source

Terahertz Spectroscopy and Density Functional Theory for Non-Destructive Analysis of Anticoagulant Warfarin. [PDF]

Molecules
Li J, Zhang C, Wang X, Zhang J, Liu H, Wu X.   +5 more
europepmc   +1 more source

On the resolution of identity Coulomb energy approximation in density functional theory

, 2000
Chris‐Kriton Skylaris, Laura Gagliardi, Nicholas C. Handy, Andrew G. Ioannou, Sarah Spencer, Andrew Willetts   +5 more
openalex   +2 more sources

Data‐driven forecasting of ship motions in waves using machine learning and dynamic mode decomposition

International Journal of Adaptive Control and Signal Processing, EarlyView.
Summary Data‐driven forecasting of ship motions in waves is investigated through feedforward and recurrent neural networks as well as dynamic mode decomposition. The goal is to predict future ship motion variables based on past data collected on the field, using equation‐free approaches.
Matteo Diez, Mauro Gaggero, Andrea Serani   +2 more
wiley   +1 more source

Vacancy Formation and Clustering Behavior in <i>δ</i>-MoN: A Systematic Density Functional Theory Study. [PDF]

Nanomaterials (Basel)
Yu J, Wang K.
europepmc   +1 more source

KEY CONCEPTS IN TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY [PDF]

, 2001
Robert van Leeuwen
openalex   +1 more source