To date, great effort has been made to form uniform graphene
films. Graphene films have been prepared by a variety of techniques, including mechanical exfoliation, graphene
in solution , and epitaxial growth methods. Mechanical exfoliation produces the highest-quality graphene, which is suitable for fundamental studies; epitaxial growth provides the shortest path to graphene-based electronic circuits, and
graphene in solution can offer lower cost and higher throughput for the production of graphene-based nanocomposites as well as larger-size films than other existing methods
This slide includes all about different types of surfaces that can be chosen for tennis courts. Our presentation will surely help you out choosing the right surface for your tennis court. Here we have described about Clay courts, Grass courts, Hard courts, Carpet courts, Indoor courts and smaller courts and their advantages & drawbacks that would helpful to you.
Pinterest Favored Tool of MBA Candidate and Millions MoreKevin Waida
Kevin Waida is currently pursuing his master’s degree in business administration at the University of Colorado in Fort Collins, Colorado, and also has varied interests in church ministries, fantasy football, fitness, and cooking. An honors graduate in Communications at the University of Missouri in Columbia, Missouri, and a former communications intern at Columbia Golf Foundation, Kevin Waida brings his education and experience to one of his many pastime pursuits – using social media to share recipes he likes and sports teams he follows.
To date, great effort has been made to form uniform graphene
films. Graphene films have been prepared by a variety of techniques, including mechanical exfoliation, graphene
in solution , and epitaxial growth methods. Mechanical exfoliation produces the highest-quality graphene, which is suitable for fundamental studies; epitaxial growth provides the shortest path to graphene-based electronic circuits, and
graphene in solution can offer lower cost and higher throughput for the production of graphene-based nanocomposites as well as larger-size films than other existing methods
This slide includes all about different types of surfaces that can be chosen for tennis courts. Our presentation will surely help you out choosing the right surface for your tennis court. Here we have described about Clay courts, Grass courts, Hard courts, Carpet courts, Indoor courts and smaller courts and their advantages & drawbacks that would helpful to you.
Pinterest Favored Tool of MBA Candidate and Millions MoreKevin Waida
Kevin Waida is currently pursuing his master’s degree in business administration at the University of Colorado in Fort Collins, Colorado, and also has varied interests in church ministries, fantasy football, fitness, and cooking. An honors graduate in Communications at the University of Missouri in Columbia, Missouri, and a former communications intern at Columbia Golf Foundation, Kevin Waida brings his education and experience to one of his many pastime pursuits – using social media to share recipes he likes and sports teams he follows.
Multi-molecular views of a stellar nurserySérgio Sacani
New detectors for radio telescopes can map emissions from many different molecules simultaneously across interstellar clouds. One such pioneering study has probed a wide area of a star-forming cloud in the Orion constellation
ALD for Industry 2019: Slides of invited tutorial by Prof. Riikka PuurunenRiikka Puurunen
Invited tutorial given by Prof. Riikka Puurunen at the ALD for Industry event, Berlin, 19.3.2019.
Video record taken with Panopto, (to be) shared in Youtube, you find the links e.g. through the blog post: https://blogs.aalto.fi/catprofopen/2019/03/19/prof-puurunen-invited-tutorial-at-ald-for-industry-berlin/
Title: ALD Technology – Introduction, History & Principles
Abstract: This tutorial keynote will introduce atomic layer deposition (ALD) – a variant of chemical vapor deposition - and fundamental principles and concepts related it from a generic viewpoint applicable to any ALD process and reactor. The early history and current usage of ALD are briefly overviewed: who made the first experiments, when, and why? How has the view on the history of ALD evolved? Where is ALD now used, by whom, and why? ALD relies on repeated chemical adsorption steps from gas phase to surface. The status of understanding the adsorption steps of ALD films will be presented and discussed using mainly the archetype trimethylaluminium-water ALD process as example and 3D conformality modelling as additional vehicle. Plenty of links to further sources of information will be included in this keynote presentation.
A related SlideShare: placeholder, where I meant to update the slides afterwards, but this did not succeed as the reupload function has been removed: https://www.slideshare.net/RiikkaPuurunen/ald-for-industry-2019-invited-tutorial-by-prof-riikka-puurunen/RiikkaPuurunen/ald-for-industry-2019-invited-tutorial-by-prof-riikka-puurunen. The update was waiting for the publication of the following review article, which was still in press when giving the presentation: Cremers, Puurunen, Dendooven, Appl. Phys. Rev. (2019), https://doi.org/10.1063/1.5060967. Article published 4.4.2019: Applied Physics Reviews 6, 021302 (2019)
Quantum Mechanical Calculations on Novel Actinide Chelatin.docxamrit47
Quantum Mechanical Calculations on Novel Actinide Chelating Agents
Aisha Mehmood, Maria Benavides, PhD
Department of Natural Sciences
www.uhd.edu/academic/colleges/sciences/ns/
Abstract: Plutonium is produced in significant amounts as the isotope 239Pu during nuclear reactor operations. The use of actinides such as Pu in energy and weapons production has resulted in major environmental and health concerns. In the event of actinide release it is critical to have the means to treat large number of people in a very short time. Chelation therapy is the approach currently used to treat actinide poisoning because it reduces the deposition of actinides in the internal organs. In order to effectively respond and treat actinide poisoning on a massive scale it is crucial to have access to effective, nontoxic chelating agents that can be orally administered, that are easily produced and safely stored at any location. Specific sequestering agents have been designed and synthesized to bind actinides. Our study focuses on determining the structures and molecular properties of four hydroxypyridinone (HOPO)-based sequestering agents 2,2-Dime-3LI(1,2-HOPO), 3LI-(1,2-HOPO), 4LI(1,2-HOPO) and 5LI(1,2-HOPO) which have been shown to strongly and specifically bind plutonium at physiological pH. Our calculations were carried out using density functional theory (DFT) with the B3LYP functional applied in conjunction with three increasingly larger basis sets (3-21G, 6-31G, and 6-311G) to obtain the equilibrium geometries, vibrational frequencies, and IR spectra for all four ligands. The highest occupied molecular orbital (HOMO) – lowest occupied molecular orbital (LUMO) energy gap values for all four compounds are greater than 4 eV suggesting that the ligands are chemically stable. Two hydrogen bonds are observed in each compound which we suspect contribute to their chemical stability. The four compounds exhibit dipole moments ranging between 3 to 4 Debye which indicates they possess polar character. Our computed vibrational frequencies were found in excellent agreement with the experimental frequencies, suggesting our proposed models are good representations of the actual molecular structures.
Introduction: Over the past years concern for harm caused by radiation in human body has increased. Recent disaster such as Fukushima Daiichi nuclear reactor accident in Japan has raised red flags for radiation safety. Such events are not common; however once the damage has happened, it is large and capable of destroying many lives. Nuclear fissions release significant amount of several different actinides that can enter human body through radiation or radioactive substances. All actinides are radioactive and bind with human internal tissue. Chelation therapy has shown positive results for reducing internal human actinide contamination. Plutonium (Pu) is an alpha emitter that is known to have the greatest retention in the human body among actinides. Our studies focuses ...
A Prussian blue/carbon dot nanocomposite as an efficient visible light active...Pawan Kumar
A Prussian blue/carbon dot (PB/CD) nanocomposite was synthesised and used as a visible-light active
photocatalyst for the oxidative cyanation of tertiary amines to α-aminonitriles by using NaCN/acetic acid
as a cyanide source and H2O2 as an oxidant. The developed photocatalyst afforded high yields of products
after 8 h of visible light irradiation at room temperature. The catalyst was recycled and reused several
times without any significant loss in its activity
Multi-molecular views of a stellar nurserySérgio Sacani
New detectors for radio telescopes can map emissions from many different molecules simultaneously across interstellar clouds. One such pioneering study has probed a wide area of a star-forming cloud in the Orion constellation
ALD for Industry 2019: Slides of invited tutorial by Prof. Riikka PuurunenRiikka Puurunen
Invited tutorial given by Prof. Riikka Puurunen at the ALD for Industry event, Berlin, 19.3.2019.
Video record taken with Panopto, (to be) shared in Youtube, you find the links e.g. through the blog post: https://blogs.aalto.fi/catprofopen/2019/03/19/prof-puurunen-invited-tutorial-at-ald-for-industry-berlin/
Title: ALD Technology – Introduction, History & Principles
Abstract: This tutorial keynote will introduce atomic layer deposition (ALD) – a variant of chemical vapor deposition - and fundamental principles and concepts related it from a generic viewpoint applicable to any ALD process and reactor. The early history and current usage of ALD are briefly overviewed: who made the first experiments, when, and why? How has the view on the history of ALD evolved? Where is ALD now used, by whom, and why? ALD relies on repeated chemical adsorption steps from gas phase to surface. The status of understanding the adsorption steps of ALD films will be presented and discussed using mainly the archetype trimethylaluminium-water ALD process as example and 3D conformality modelling as additional vehicle. Plenty of links to further sources of information will be included in this keynote presentation.
A related SlideShare: placeholder, where I meant to update the slides afterwards, but this did not succeed as the reupload function has been removed: https://www.slideshare.net/RiikkaPuurunen/ald-for-industry-2019-invited-tutorial-by-prof-riikka-puurunen/RiikkaPuurunen/ald-for-industry-2019-invited-tutorial-by-prof-riikka-puurunen. The update was waiting for the publication of the following review article, which was still in press when giving the presentation: Cremers, Puurunen, Dendooven, Appl. Phys. Rev. (2019), https://doi.org/10.1063/1.5060967. Article published 4.4.2019: Applied Physics Reviews 6, 021302 (2019)
Quantum Mechanical Calculations on Novel Actinide Chelatin.docxamrit47
Quantum Mechanical Calculations on Novel Actinide Chelating Agents
Aisha Mehmood, Maria Benavides, PhD
Department of Natural Sciences
www.uhd.edu/academic/colleges/sciences/ns/
Abstract: Plutonium is produced in significant amounts as the isotope 239Pu during nuclear reactor operations. The use of actinides such as Pu in energy and weapons production has resulted in major environmental and health concerns. In the event of actinide release it is critical to have the means to treat large number of people in a very short time. Chelation therapy is the approach currently used to treat actinide poisoning because it reduces the deposition of actinides in the internal organs. In order to effectively respond and treat actinide poisoning on a massive scale it is crucial to have access to effective, nontoxic chelating agents that can be orally administered, that are easily produced and safely stored at any location. Specific sequestering agents have been designed and synthesized to bind actinides. Our study focuses on determining the structures and molecular properties of four hydroxypyridinone (HOPO)-based sequestering agents 2,2-Dime-3LI(1,2-HOPO), 3LI-(1,2-HOPO), 4LI(1,2-HOPO) and 5LI(1,2-HOPO) which have been shown to strongly and specifically bind plutonium at physiological pH. Our calculations were carried out using density functional theory (DFT) with the B3LYP functional applied in conjunction with three increasingly larger basis sets (3-21G, 6-31G, and 6-311G) to obtain the equilibrium geometries, vibrational frequencies, and IR spectra for all four ligands. The highest occupied molecular orbital (HOMO) – lowest occupied molecular orbital (LUMO) energy gap values for all four compounds are greater than 4 eV suggesting that the ligands are chemically stable. Two hydrogen bonds are observed in each compound which we suspect contribute to their chemical stability. The four compounds exhibit dipole moments ranging between 3 to 4 Debye which indicates they possess polar character. Our computed vibrational frequencies were found in excellent agreement with the experimental frequencies, suggesting our proposed models are good representations of the actual molecular structures.
Introduction: Over the past years concern for harm caused by radiation in human body has increased. Recent disaster such as Fukushima Daiichi nuclear reactor accident in Japan has raised red flags for radiation safety. Such events are not common; however once the damage has happened, it is large and capable of destroying many lives. Nuclear fissions release significant amount of several different actinides that can enter human body through radiation or radioactive substances. All actinides are radioactive and bind with human internal tissue. Chelation therapy has shown positive results for reducing internal human actinide contamination. Plutonium (Pu) is an alpha emitter that is known to have the greatest retention in the human body among actinides. Our studies focuses ...
A Prussian blue/carbon dot nanocomposite as an efficient visible light active...Pawan Kumar
A Prussian blue/carbon dot (PB/CD) nanocomposite was synthesised and used as a visible-light active
photocatalyst for the oxidative cyanation of tertiary amines to α-aminonitriles by using NaCN/acetic acid
as a cyanide source and H2O2 as an oxidant. The developed photocatalyst afforded high yields of products
after 8 h of visible light irradiation at room temperature. The catalyst was recycled and reused several
times without any significant loss in its activity
Palestine last event orientationfvgnh .pptxRaedMohamed3
An EFL lesson about the current events in Palestine. It is intended to be for intermediate students who wish to increase their listening skills through a short lesson in power point.
The French Revolution, which began in 1789, was a period of radical social and political upheaval in France. It marked the decline of absolute monarchies, the rise of secular and democratic republics, and the eventual rise of Napoleon Bonaparte. This revolutionary period is crucial in understanding the transition from feudalism to modernity in Europe.
For more information, visit-www.vavaclasses.com
The Art Pastor's Guide to Sabbath | Steve ThomasonSteve Thomason
What is the purpose of the Sabbath Law in the Torah. It is interesting to compare how the context of the law shifts from Exodus to Deuteronomy. Who gets to rest, and why?
How to Split Bills in the Odoo 17 POS ModuleCeline George
Bills have a main role in point of sale procedure. It will help to track sales, handling payments and giving receipts to customers. Bill splitting also has an important role in POS. For example, If some friends come together for dinner and if they want to divide the bill then it is possible by POS bill splitting. This slide will show how to split bills in odoo 17 POS.
Read| The latest issue of The Challenger is here! We are thrilled to announce that our school paper has qualified for the NATIONAL SCHOOLS PRESS CONFERENCE (NSPC) 2024. Thank you for your unwavering support and trust. Dive into the stories that made us stand out!
This is a presentation by Dada Robert in a Your Skill Boost masterclass organised by the Excellence Foundation for South Sudan (EFSS) on Saturday, the 25th and Sunday, the 26th of May 2024.
He discussed the concept of quality improvement, emphasizing its applicability to various aspects of life, including personal, project, and program improvements. He defined quality as doing the right thing at the right time in the right way to achieve the best possible results and discussed the concept of the "gap" between what we know and what we do, and how this gap represents the areas we need to improve. He explained the scientific approach to quality improvement, which involves systematic performance analysis, testing and learning, and implementing change ideas. He also highlighted the importance of client focus and a team approach to quality improvement.
2024.06.01 Introducing a competency framework for languag learning materials ...Sandy Millin
http://sandymillin.wordpress.com/iateflwebinar2024
Published classroom materials form the basis of syllabuses, drive teacher professional development, and have a potentially huge influence on learners, teachers and education systems. All teachers also create their own materials, whether a few sentences on a blackboard, a highly-structured fully-realised online course, or anything in between. Despite this, the knowledge and skills needed to create effective language learning materials are rarely part of teacher training, and are mostly learnt by trial and error.
Knowledge and skills frameworks, generally called competency frameworks, for ELT teachers, trainers and managers have existed for a few years now. However, until I created one for my MA dissertation, there wasn’t one drawing together what we need to know and do to be able to effectively produce language learning materials.
This webinar will introduce you to my framework, highlighting the key competencies I identified from my research. It will also show how anybody involved in language teaching (any language, not just English!), teacher training, managing schools or developing language learning materials can benefit from using the framework.
2024.06.01 Introducing a competency framework for languag learning materials ...
RHF and DFT Theoretical Study of the Benzene and Hydroxylbenzene Molecule Group in Gas Phase
1. Abstract of Applied Sciences and Engineering, 2016, Vol.9
DOI: 10.18488/journal.1001/2016.9/1001.9
9th
International Scientific Conference on Applied
Sciences and Engineering
6-7 June 2016
Nippon Hotel, İstanbul-Turkey
Conference Website: www.scihost.org
21
Paper ID: 21/16/ 9
th
ISCASE
RHF and DFT Theoretical Study of the Benzene and
Hydroxylbenzene Molecule Group in Gas Phase
A. Muhammad1
---L .S. Taura2
---C.E. Ndikilar3
--- I.G. Shitu4
1,2,4
Department of physics, Sule Lamido University Kafin-Hausa, Jigawa State
3
Department of physics, Federal University Dutse, Jigawa State
Abstract
The Benzene ring is an important example of conjugated molecule, and also an
important building block of many organic semiconductors (OSC). However a single
benzene ring is not yet large enough to bring the band-gaps Eg into the OSC regime.
The molecular geometries of the Hydroxylbenzene group have been studied using
ab-initio Quantum chemical calculations at the Restricted Hatree-fock (RHF) with 6-
31G (d,p) basis set. Also Density functional theory (DFT) at the B3LYP have been
carried out at the same basis set for inclusion of electron correlation. The electronic
properties calculated are Bond length, Bond angle, total energy, energy gap, ionization
energy, electron affinity, electrophilic index, Hardness and softness. Some of the
properties computed like bond lengths and bond angles by DFT are in good agreement
with experimental values but those computed from RHF over estimated the results.
The energy gap decreases with the substitution of OH radical in the Benzene
molecule.
Keywords: Benzene, Bond length, Energy gap and DFT, RHF.
