Results 261 to 270 of about 10,400,724 (310)

Green Spectrofluorometric Method for Labetalol Determination Based on Electron Transfer Inhibition With Density Functional Theory Validation and Statistical Design Optimization. [PDF]

Luminescence
Al Shmrany H, Alqahtani A, Alqahtani T, Alshehri A, Almrasy AA.   +4 more
europepmc   +1 more source

Longitudinal Changes in Adiposity After a Youth Sport‐Related Knee Injury: Informing Posttraumatic Osteoarthritis Prevention

Arthritis Care &Research, EarlyView.
Objective Youth who experience a sport‐related knee injury have elevated odds of becoming overweight or developing obesity in 3 to 10 years, compounding their risk for posttraumatic osteoarthritis (PTOA). To inform prevention strategies, this study compared patterns of adiposity change between youth with a sport‐related knee injury and uninjured youth ...
Justin M. Losciale, Nuria E. J. Jansen, Christina Y. Le, Leo Lu, Hui Xie, Marienke van Middelkoop, Jackie L. Whittaker   +6 more
wiley   +1 more source

Multiscale Modeling of the RESET Sweep in a Single-Layer MoS₂ Atomristor Using Density Functional Theory. [PDF]

ACS Omega
Turfanda A, Gagliardi A.
europepmc   +1 more source

A Bimetal Fe/Mg Immobilized on N‑Doped Biochar for Efficient Adsorption of Paracetamol: Performance Assessment, Mechanistic Exploration, and Density Functional Theory. [PDF]

ACS Omega
Al-Haiqi MA, Goh CF, Oh WD.
europepmc   +1 more source

Dielectric Response of Hydrogenated Borophene Monolayers from First-Principles Density Functional Theory Calculations. [PDF]

ACS Omega
Varadwaj A, Ando Y, Niibe M, Kondo T, Matsuda I, Kotsugi M.   +5 more
europepmc   +1 more source

Towards the selectivity and energetics of anti-Bredt olefins - a density functional theory approach. [PDF]

RSC Adv
Chakraborty P, Alam J, Poulose B, Ramakrishnan S, Anjukandi P.   +4 more
europepmc   +1 more source

Alzheimer's Disease Beyond Amyloid: Lessons From Atherosclerosis

Annals of Clinical and Translational Neurology, EarlyView.
Marcello Ciaccio, Luisa Agnello
wiley   +1 more source

Multistate Density Functional Theory: Theory, Methods, and Applications. [PDF]

Wiley Interdiscip Rev Comput Mol Sci
Lu Y, Gao J.
europepmc   +1 more source

Quantum-Electrodynamical Time-Dependent Density Functional Theory Description of Molecules in Optical Cavities. [PDF]

J Chem Theory Comput
Aklilu Y, Shepherd M, Covington CL, Varga K.   +3 more
europepmc   +1 more source

Density functional theory: An introduction [PDF]

American Journal of Physics, 2000
Density functional theory (DFT) is one of the most widely used methods for ab initio calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often considered too lengthy to be included in various curricula.
Guy Makov
exaly   +3 more sources