Results 201 to 210 of about 25,810,809 (294)

Analysis and visualization of energy densities. I. Insights from real-time time-dependent density functional theory simulations. [PDF]

Phys Chem Chem Phys, 2020
Yang J, Pei Z, Deng J, Mao Y, Wu Q, Yang Z, Wang B, Aikens CM, Liang W, Shao Y.   +9 more
europepmc   +1 more source

Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations. [PDF]

Inorg Chem, 2022
Quílez-Alburquerque J, García-Iriepa C, Marazzi M, Descalzo AB, Orellana G.   +4 more
europepmc   +1 more source

Study on benzoic acid by THz time-domain spectroscopy and density functional theory

, 2011
In this letter, we employ terahertz time-domain spectroscopy (THz-TDS) technology to measure the THz absorption spectrum and refractive index of benzoic acid at room temperature.
ZhengZhuanping, FanWenhui, XueBing, Fan Wenhui   +3 more
core  

Nonadiabatic ab initio molecular dynamics using linear-response time-dependent density functional theory

Open Physics, 2013
Curchod Basile, Penfold Thomas, Rothlisberger Ursula, Tavernelli Ivano   +3 more
doaj   +1 more source

On the Topological Phase around Conical Intersections with Tamm-Dancoff Linear-Response Time-Dependent Density Functional Theory. [PDF]

J Phys Chem A
Taylor JT, Tozer DJ, Curchod BFE.
europepmc   +1 more source

Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations. [PDF]

Phys Chem Chem Phys, 2020
Pei Z, Yang J, Deng J, Mao Y, Wu Q, Yang Z, Wang B, Aikens CM, Liang W, Shao Y.   +9 more
europepmc   +1 more source

Natural Frequencies of Levodopa‐Induced Dyskinesia in Parkinson's Disease

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objectives Abnormal involuntary movements, known as dyskinesias, are common complications of levodopa treatment in patients with Parkinson's disease and can significantly impair quality of life. The underlying pathophysiology remains unclear, and current therapeutic options are limited.
Ioannis U. Isaias, Federica Avantaggiato, Gianni Pezzoli, Andrea Canessa   +3 more
wiley   +1 more source

Benchmarking Functionals for Strong-Field Light-Matter Interactions in Adiabatic Time-Dependent Density Functional Theory. [PDF]

J Phys Chem Lett
Neufeld O, Tancogne-Dejean N, Rubio A.
europepmc   +1 more source

Enhancing the Photoelectric Properties of Zinc Porphyrin Dyes by Introducing Five-Membered Heterocyclic Rings into the Electron Donor: A Density Functional Theory and Time-Dependent Density Functional Theory Study. [PDF]

ACS Omega, 2021
Yuan Q, Yu Y, Sun Z, Song X.
europepmc   +1 more source

Diabetes‐Associated Cognitive Impairment: Pathophysiology and Emerging Therapies

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Diabetes‐associated cognitive impairment (DACI) is a common yet underrecognized condition, manifesting along a spectrum from mild cognitive impairment to dementia. DACI encompasses patients who develop vascular dementia (VaD) or Alzheimer's disease (AD) with diabetes as a risk factor; however, in certain patients, particularly those lacking ...
Osman Corbali, Priyanka Menon, Halil I. Corbali, Ram Jagannathan, Allan I. Levey   +4 more
wiley   +1 more source