Results 331 to 340 of about 764,877 (372)

Fast and Efficient Sinusoidal Frequency Estimation by Using the DFT Coefficients

IEEE Transactions on Communications, 2019
Fast and accurate frequency estimation of a complex sinusoidal plays an important role in many applications, including communications, radar, and sonar.
A. Serbes
semanticscholar   +1 more source

Graphdiyne-Supported Single-Atom-Sized Fe Catalysts for the Oxygen Reduction Reaction: DFT Predictions and Experimental Validations

ACS Catalysis, 2018
Single-atom-sized catalysts (often called single atom catalysts) are highly desired for maximizing the efficiency of metal atom use. However, their synthesis is a major challenge that largely depends on finding an appropriate supporting substrate to ...
Yuan Gao, Zhewei Cai, Xingchen Wu, Z. Lv, Ping Wu, C. Cai   +5 more
semanticscholar   +1 more source

DFT-extractor

Proceedings of the 22nd International Conference on World Wide Web, 2013
Extracting faceted taxonomies from the Web has received increasing attention in recent years from the web mining community. We demonstrate in this study a novel system called DFT-Extractor, which automatically constructs domain-specific faceted taxonomies from Wikipedia in three steps: 1) It crawls domain terms from Wikipedia by using a modified ...
Bifan Wei, Jun Liu, Jian Ma, Qinghua Zheng, Wei Zhang, Boqin Feng   +5 more
openaire   +1 more source

A 1.5-Bit DFT Analyzer

IEEE Transactions on Instrumentation and Measurement, 2020
In this article, it is shown how to estimate the frequency response function of a linear system using a three-level digital-to-analog converter (DAC) and a 1-bit analog-to-digital converter (ADC). Estimation requires the usage of a three-level periodic stimulus signal and a sinewave, used as a dither signal to improve the effective resolution of the 1 ...
Carbone, Paolo, Schoukens, Joannes, De Angelis, Alessio, Moschitta, Antonio   +3 more
openaire   +2 more sources

DFT Aware Layout - Layout Aware DFT

14th Asian Test Symposium (ATS'05), 2005
The era of the SOC and sub 100nm process technologies has created several new sets of challenges for the test engineer. One of these is the return to prominence of the effect of test infrastructure on the overall physical design of the device. This time it is not impact of logic overhead which is at the top of the list but the need for DFT to interact ...
openaire   +1 more source

DFT Calculations on Heterocyclacenes

Organic Letters, 2009
Two different types of cyclacenes utilizing eight-membered or six-membered rings containing divalent sulfur and nitrogen atoms have been investigated by theoretical means with respect to their geometries and relative energies using DFT calculations.
Kornmayer, Stefan C., Esser, Birgit, Gleiter, Rolf   +2 more
openaire   +3 more sources

Synergistic Application of XPS and DFT to Investigate Metal Oxide Surface Catalysis

Journal of Physical Chemistry C, 2018
To investigate metal oxide surface catalysis, determining an appropriate Hubbard U-correction term is a challenge for the density functional theory (DFT) community and identifying realistic reaction intermediates and their corresponding X-ray ...
Q. Trịnh, Kartavya Bhola, P. N. Amaniampong, F. Jérôme, S. H. Mushrif   +4 more
semanticscholar   +1 more source

Metallobiliverdin Radicals—DFT Studies

ChemPhysChem, 2003
AbstractSeveral aspects of the molecular and electronic structure of biliverdin derivatives have been studied using density functional theory (DFT). The calculations have been performed for complexes of trianion (BvO2)3− and dianion [BvO(OH)]2−, derived from two tautomeric forms of biliverdin, BvO2H3 and [BvO(OH)]H2, with redox innocent metal ions ...
Ludmiła, Szterenberg, Lechosław, Latos-Grazyński, Jacek, Wojaczyński   +2 more
openaire   +2 more sources

Liquid Methanol from DFT and DFT/MM Molecular Dynamics Simulations

Journal of Chemical Theory and Computation, 2012
We present a comparative study of computational protocols for the description of liquid methanol from ab initio molecular dynamics simulations, in view of further applications directed at the modeling of chemical reactivity of organic and organometallic molecules in (explicit) methanol solution.
Sieffert, Nicolas, Bühl, Michael, Gaigeot, Marie-Pierre, Morrison, Carole A.   +3 more
openaire   +4 more sources

ChemInform Abstract: Computational Techniques (DFT, MM, TD‐DFT, PCM)

ChemInform, 2012
AbstractReview: 80 refs.
Rosemary Sheehan, Peter J. Cragg
openaire   +1 more source