Results 21 to 30 of about 887,626 (298)

Effect of the Y element on the structural, electronic and magnetic properties of Heusler compounds Co2YIn (Y = V, Nb, and Ti): An ab initio study

open access: yesAIP Advances, 2021
We report the effect of varying the Y element on the structural, electronic and magnetic properties of Co2YIn (Y = V, Nb, Ti) Heusler compounds using Density Functional Theory (DFT).
Zipporah Muthui   +3 more
doaj   +1 more source

Alchemical and structural distribution based representation for improved QML

open access: yes, 2017
We introduce a representation of any atom in any chemical environment for the generation of efficient quantum machine learning (QML) models of common electronic ground-state properties.
Feifei Ren (558363)   +5 more
core   +4 more sources

Comparing Study of The Stability and spectral properties vibrations for some Tellurium (IV) compounds containing cycloctadienyl group by Quantum Mechanical Calculations

open access: yesمجلة بغداد للعلوم, 2013
Density Functional Theory (DFT) with B3LYP hybrid exchange-correlation functional and 3-21G basis set and semi-empirical methods (PM3) were used to calculate the energies (total energy, binding energy (Eb), molecular orbital energy (EHOMO-ELUMO), heat ...
Baghdad Science Journal
doaj   +1 more source

The Mnemonic Correction Becomes Meaningful Through Focus Group Discussion in Chemistry Learning

open access: yesJTK (Jurnal Tadris Kimiya), 2022
One of the concerns in the learning process is the meaning of writing mnemonics to help students memorize chemistry concepts. The research aimed to correct mnemonics in learning presentation by prospective chemistry teachers' students to be meaningful ...
Sri Winarni, Syahrial Syahrial
doaj   +1 more source

How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics

open access: yes, 2020
Recently there has been much interest in using Group IV elements from the Periodic Table to fabricate and study X$V$ color centers in diamond where X = Si, Ge, Sn, or Pb and $V$ is a carbon vacancy.
Defo, Rodrick Kuate   +2 more
core   +1 more source

Physical properties and defect processes of M3SnC2 (M = Ti, Zr, Hf) MAX phases: Effect of M-elements [PDF]

open access: yes, 2018
We have employed density functional theory calculations for determining intrinsic defect processes and structural, elastic, and electronic properties of recently synthesized Sn-containing 312 MAX phases M3SnC2 (M = Ti, Zr, Hf) including Debye temperature,
Christopoulos, Stavros   +5 more
core   +1 more source

LASER ELEMENTAL ANALYZER LASER-Z FOR SOILS, ORES, MINERALS AND MINING AND CHEMICAL RAW MATERIAL [PDF]

open access: yesМинералогия, 2016
SciAsp Company, a leading world producer of portable analytical equipment, presents new series of laser analyzers Laser-Z. Portable mining and geological analyzers Laser-Z will perform field elemental analysis for almost any group of the Periodic Table.
E. Skorina
doaj  

The Periodic Table and the Platinum Group Metals

open access: yesPlatinum Metals Review, 2008
The year 2007 marked the centenary of the death of Dmitri Mendeleev (1834–1907). This article discusses how he and some of his predecessors accommodated the platinum group metals (pgms) in the Periodic Table, and it considers the placing of their three transuranic congeners: hassium ( 108 Hs),
openaire   +1 more source

A "Periodic Table" for Supersymmetric M-Theory Compactifications

open access: yes, 2002
We develop a systematic method for classifying supersymmetric orbifold compactifications of M-theory. By restricting our attention to abelian orbifolds with low order, in the special cases where elements do not include coordinate shifts, we construct a ...
Acharya   +33 more
core   +1 more source

Real‐World Pediatric Blinatumomab Administration: Access to Outpatient Care Delivery and Impact of a Hospital‐Dispensed Model

open access: yesPediatric Blood &Cancer, EarlyView.
ABSTRACT Blinatumomab has been shown to be highly effective for patients with pediatric B‐ALL and has recently become standard of care therapy. Due to its past use in the clinical trial setting, there is limited information available about real‐world administration.
Katelyn Oranges   +12 more
wiley   +1 more source

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