Results 161 to 170 of about 170,778 (310)

Investigation of the interaction of water with the calcite {1014} surface using ab-initio simulation

, 2009
Density functional theory calculations were employed to explore the interaction between water and the {1014} surface of calcite. In addition a defective {1014} surface and stepped surfaces in contact with water were investigated.
Lardge, J.S.
core  

A Hydrogen‐Releasing Nanozyme Engineers a Mitochondrial ROS Amplifier for Self‐Sustaining Catalytic Immunotherapy

Advanced Science, EarlyView.
We developed a RhPd‐H nanozyme that integrates enhanced POD‐mimetic catalytic activity with thermally triggered H2 release. H2 shields and reprograms mitochondria to continuously leak endogenous ·O2−. This dual‐path ROS spatially and temporally disrupts redox homeostasis, inducing persistent oxidative stress for tumor suppression and antitumor immunity,
Mingfan Shi, Jingrui Cao, Tong Wu, Guang Yang, YaWen Yang, Shixin Zhang, Wenwen Su, Hongyu Chu, Yangyang Zhao, Shan Jiang, Qiong Wu, Dongxu Jiao, Fangfang Chen   +12 more
wiley   +1 more source

Ab Initio Binocular Formulation of Listing's Law. [PDF]

J Eye Mov Res
Turski J.
europepmc   +1 more source

Precession electron diffraction in the transmission electron Microscope: electron crystallography and orientational mapping

, 2012
Podeu consultar el llibre complet a: http://hdl.handle.net/2445/32166Precession electron diffraction (PED) is a hollow cone non-stationary illumination technique for electron diffraction pattern collection under quasikinematical conditions (as in X-ray ...
Portillo i Serra, Joaquim
core  

Magnetoelectric Nanoparticle‐Based Wireless Brain–Computer Interface: Underlying Physics and Projected Technology Pathway

Advanced Science, EarlyView.
Magnetoelectric nanoparticles (MENPs) enable fully wireless, minutely invasive neuromodulation, and potentially neural recording, by converting magnetic into electric and, conversely, electric into magnetic fields, respectively, at high spatiotemporal resolution.
Elric Zhang, Max Shotbolt, Mostafa Abdel‐Mottaleb, Shawnus Chen, Victoria Andre, Jieyuan Tian, Jonathan Shulgach, Max Murphy, Brian Noga, Ping Liang, Darcy Griffin, Douglas Weber, Marta Pardo, Salvador Pane, Sakhrat Khizroev   +14 more
wiley   +1 more source

General ab initio framework for electronic-order-induced lattice-dynamics symmetry breaking. [PDF]

Sci Adv
Zhang S, Wang M, Zhang P, Zhang T.
europepmc   +1 more source

Correlations between MO Eigenvectors and the Thermochemistry of Simple Organic Molecules, Related to Empirical Bond Additivity Schemes

, 2008
A bondingness term is further developed to aid in heat of formation (ΔfHº) calculations for C, N, O and S containing molecules. Bondingness originated from qualitative investigations into the antibonding effect in the occupied MOs of ethane.
Lee, Matthew Colin John
core  

Type‐II Dirac Fermions in Monolayer In2O: Interplay of Magnetotransport, Spin Hall Effect, and Superconductivity

Advanced Science, EarlyView.
First‐principles calculations reveal that monolayer In2O${\rm In}_2{\rm O}$ hosts type‐II Dirac fermions near the Fermi level, which split into Weyl points under spin‐orbit coupling. The material exhibits negative and giant magnetoresistance, a pronounced spin Hall effect, and phonon‐mediated superconductivity at 1.5 K, establishing it as a unique ...
Qing‐Bo Liu, De‐Ming Feng, Wen‐Neng Zhao, Yu‐Yang Zhao, Lun Xiong, Xing‐Yi Tan, Hua‐Hua Fu   +6 more
wiley   +1 more source

<i>Ab Initio</i> Polariton Transport Dynamics with the Classical Path Approximation. [PDF]

Nano Lett
Chng BXK, Weight BM, Mondal ME, Huo P.
europepmc   +1 more source

Ab-initio calculations of structural, electronic, and magnetic properties of Li based heusler compounds

In today's technology, the basic properties of these materials must be known to benefit from the material that is produced artificially or exists naturally.
Ayhan, Seyfettin, Balci, Gulten Kavak
core