Results 241 to 250 of about 596,267 (361)

Fisher Information Density Functional Theory. [PDF]

J Comput Chem
Nagy Á.
europepmc   +1 more source

Magnetization Dynamics from Time-Dependent Noncollinear Spin Density Functional Theory Calculations

, 2015
Juan E. Peralta, Oded Hod, Gustavo E. Scuseria   +2 more
openalex   +1 more source

Normal‐Appearing White Matter Injury Mediates Chronic Deep Venous Hypoxia and Disease Progression in Multiple Sclerosis

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective To explore how cerebral hypoxia and Normal‐Appearing White Matter (NAWM) integrity affect MS lesion burden and clinical course. Methods Seventy‐nine MS patients, including 13 clinically isolated syndrome (CIS) patients and 66 relapsing–remitting multiple sclerosis (RRMS) patients, and 44 healthy controls (HCs) were recruited from ...
Xinli Wang, Huiying Wang, Zhizheng Zhuo, Ai Guo, Ke Lv, Decai Tian, Chao Chai, Yunyun Duan, Shuang Xia   +8 more
wiley   +1 more source

Density Functional Theory Analysis of Luteolin Molecular Structure and Spectrum. [PDF]

ACS Omega
Zheng Y, Zhang Y, Wang Z, Zhang Y.
europepmc   +1 more source

A Depolarizing Leak in Sodium Bicarbonate Cotransporter NBCe1 Causes Brain Edema

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objectives SLC4A4 encodes electrogenic sodium bicarbonate cotransporter NBCe1, prominently expressed in kidney and brain. Recessive loss‐of‐function variants in SLC4A4 cause proximal renal tubular acidosis, no brain edema. In the brain, NBCe1 is expressed by astrocytes, where it regulates pH and mediates astrocyte volume changes.
Quinty Bisseling, Mark D. Parker, Sven Kerst, Richard A. Pasternack, Jacob Tondreau, Marjolein Breur, Gemma M. van Rooijen‐van Leeuwen, Davide Tonduti, Ettore Salsano, Alejandra Darling, Joanna A. E. van Wijk, Susanna Törnroth‐Horsefield, Marianna Bugiani, Petra J. W. Pouwels, Quinten Waisfisz, Marjo S. van der Knaap, Rogier Min   +16 more
wiley   +1 more source

Benchmarking Density Functional Theory for Accurate Calculation of Nitride Band Gaps. [PDF]

J Chem Theory Comput
Mohn CE, Fjellvåg H, Vajeeston P, Valldor M, Bergum K.   +4 more
europepmc   +1 more source

Elevated Connectivity During Language Processing Is Associated With Cognitive Performance in SeLECTS

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Self‐Limited Epilepsy with Centrotemporal Spikes (SeLECTS) is associated with language impairments despite seizures originating in the motor cortex, suggesting aberrant cross‐network interactions. Here we tested whether functional connectivity in SeLECTS during language tasks predicts language performance.
Wendy Qi, Katharine Lee, Kerry C. Nix, Miguel Menchaca, Xiwei Shé, Lorelei Santa Maria, Wei Wu, Zihuai He, Fiona M. Baumer   +8 more
wiley   +1 more source

New Insights into the Thermodynamic Properties and Raman Vibrational Modes of Polyhalite from Density Functional Theory. [PDF]

Molecules
Cheng H, Chen Y, Zhang S.
europepmc   +1 more source

Supplementary material from "Mechanistic investigations on Pinnick oxidation: a density functional theory study"

, 2020
Aqeel A. Hussein, Al-Hadedi, Azzam A. M., Mahrath, Alaa J., Moustafa, Gamal A. I., Almalki, Faisal A., Alqahtani, Alaa, Shityakov, Sergey, Moaed E. Algazally   +7 more
openalex   +1 more source

Singlet - triplet gaps in polymers from range-separated time dependent density functional theory [PDF]

, 2012
Birgit Kociper
openalex   +1 more source