Results 211 to 220 of about 921,873 (354)

Plateaus in the Potentials of Density-Functional Theory: Analytical Derivation and Useful Approximations. [PDF]

J Chem Theory Comput
Rahat NE, Kraisler E.
europepmc   +1 more source

Comment on “Frequency-dependent polarizabilities, hyperpolarizabilities, and excitation energies from time-dependent density-functional theory based on the quasienergy derivative method” [J. Chem. Phys. 111, 2878 (1999)] [PDF]

, 2000
Arup Banerjee, Manoj K. Harbola
openalex   +1 more source

Perspective: Fifty years of density-functional theory in chemical physics.

Journal of Chemical Physics, 2014
A. Becke
semanticscholar   +1 more source

Cytokine, Chemokine, and Neurofilament Light Chain Signatures in LGI1 Autoimmune Encephalitis

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objectives To investigate the value of cytokine, chemokine, and neurofilament light chain (NfL) concentrations in predicting relapse risk, chronic epilepsy, and functional impairment in LGI1 autoimmune encephalitis (AE). Methods Cytokines/chemokines (IL‐1‐beta, IL‐2, IL‐4, IL‐5, IL‐6, IL‐8/CXCL8, IL‐10, IL‐12p70, IL‐13, IL‐17A, GM‐CSF, TNF ...
Albert Aboseif, Georgios Mangioris, Binxia Yang, Vanessa K. Pazdernik, Jeffrey W. Britton, Divyanshu Dubey, Eoin P. Flanagan, Sarosh R. Irani, Gregory S. Day, Charles L. Howe, A. Sebastian López‐Chiriboga, Andrew McKeon, John R. Mills, Yahel Segal, Michel Toledano, Ivana Vodopivec, Sean J. Pittock, Anastasia Zekeridou   +17 more
wiley   +1 more source

Hydrogenated Planar Aluminum Clusters: A Density Functional Theory Study. [PDF]

Molecules
Yao C, Wang M, Cao L.
europepmc   +1 more source

Exact relations of the quasienergy functional and the exchange-correlation potential from the Floquet formulation of time-dependent density functional theory

, 2000
Dmitry A. Telnov, Shih‐I Chu
openalex   +2 more sources

Moderators and Mediators of Pain and Function Outcomes in a New Service Delivery Model for Management of Knee Osteoarthritis in Primary Care: Secondary Exploratory Analysis of a Randomized Controlled Trial

Arthritis Care &Research, EarlyView.
Objective Our objective was to explore moderators and mediators influenced changes in pain and function in people with knee osteoarthritis (OA) receiving a new model of primary care service delivery (Optimizing Primary Care Management of Knee Osteoarthritis [PARTNER]), at 12 months (ACTRN: 12617001595303).
Abdolhay Farivar, Jocelyn L. Bowden, Kim L. Bennell, Andrew M. Briggs, Stephen J. Bunker, Rana S. Hinman, Thorlene Egerton, Simon D. French, Marie Pirotta, Karen Schuck, Venkatesha Venkatesha, Nicholas A. Zwar, David J. Hunter   +12 more
wiley   +1 more source

Accurate and Efficient Description of Acidic Zeolites with Plane-Wave Density Functional Theory Using Range-Separated Hybrid Functionals. [PDF]

Chemphyschem
Huber P, Plessow PN.
europepmc   +1 more source

Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach

, 2000
Katarzyna Merkel, A. Kocot, R. Wrzalik, B. Orgasińska   +3 more
openalex   +1 more source

Improvements in Health‐Related Quality of Life with Treat‐to‐Target Urate‐Lowering Therapy in Gout: A Post‐hoc Analysis of a Randomized Multicenter Trial

Arthritis Care &Research, Accepted Article.
Background While treat‐to‐target urate‐lowering therapy (ULT) is endorsed as best practice in gout management, limited data exist on its impact on health‐related quality of life (HRQoL). We assessed the impact of treat‐to‐target ULT on HRQoL among participants receiving protocolized gout care, identifying factors associated with HRQoL and HRQoL change.
Austin Barry, Bryant R. England, Harlan Sayles, Lindsay N. Helget, Maria Androsenko, Hongsheng Wu, Kaleb Michaud, Bridget Kramer, Jeff A. Newcomb, Mary T. Brophy, Anne Davis‐Karim, Ryan Ferguson, Michael H. Pillinger, Tuhina Neogi, Paul M. Palevsky, James R. O'Dell, Ted R. Mikuls   +16 more
wiley   +1 more source