Results 101 to 110 of about 753,984 (343)
Hybrid blind robust image watermarking technique based on DFT-DCT and Arnold transform [PDF]
Multimedia tools and applications, 2018 In this paper, a robust blind image watermarking method is proposed for copyright protection of digital images. This hybrid method relies on combining two well-known transforms that are the discrete Fourier transform (DFT) and the discrete cosine ...
Mohamed Hamidi +3 more
semanticscholar +1 more source
The education of Walter Kohn and the creation of density functional theory [PDF]
, 2014 The theoretical solid-state physicist Walter Kohn was awarded one-half of the 1998 Nobel Prize in Chemistry for his mid-1960's creation of an approach to the many-particle problem in quantum mechanics called density functional theory (DFT).
Zangwill, Andrew
core
Antiferromagnetic coupling of the single-molecule magnet Mn12 to a ferromagnetic substrate
, 2011 We investigate magnetic coupling between a monolayer of prototype single-molecule magnets Mn12 and a ferromagnetic Ni(111) substrate through S, using density-functional theory (DFT) and a DFT+U method.
A. C. Hewson +7 more
core +1 more source
Electroactive Metal–Organic Frameworks for Electrocatalysis
Advanced Functional Materials, EarlyView.Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska +7 more
wiley +1 more source
Band Alignment in In‐Oxo Metal Porphyrin SURMOF Heterojunctions
Advanced Functional Materials, EarlyView.Porphyrin core metalation in indium‑oxo SURMOFs enables systematic tuning of band edge positions without altering the crystal structure. First‑principles calculations reveal type‑I and type‑II heterostructures as well as multi‑junction energy cascades, establishing a modular strategy for exciton funneling and charge separation in optoelectronic ...
Puja Singhvi, Nina Vankova, Thomas Heine
wiley +1 more source
Advanced Functional Materials, EarlyView.A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu +9 more
wiley +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2020 In the title compound, C22H27NO, the piperidine ring adopts a chair conformation. The dihedral angles between the mean plane of the piperidine ring and the phenyl rings are 89.78 (7) and 48.30 (8)°.
P. Periyannan +4 more
doaj +1 more source
Projection-Based Wavefunction-in-DFT Embedding.
Accounts of Chemical Research, 2019 Complex chemical systems present challenges to electronic structure theory stemming from large system sizes, subtle interactions, coupled dynamical time scales, and electronically nonadiabatic effects. New methods are needed to perform reliable, rigorous,
Sebastian J. R. Lee +3 more
semanticscholar +1 more source
An Orthogonal Discrete Auditory Transform
, 2005 An orthogonal discrete auditory transform (ODAT) from sound signal to spectrum is constructed by combining the auditory spreading matrix of Schroeder et al and the time one map of a discrete nonlocal Schr\"odinger equation.
Qi, Yingyong, Xin, Jack
core +1 more source
Photoswitching Conduction in Framework Materials
Advanced Functional Materials, EarlyView.This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez +4 more
wiley +1 more source