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Transition - Science topic
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Questions related to Transition
Using UV VIS IR absorbtion data, I found some peaks in the graph. But how to know from where to where the transition happened? Is there any software? or literature data?
Please help?
I am considering a research question for my dissertation around founders, who are also employees in their companies, transitioning into leadership/management roles.
The company I am basing the research question on find themselves with financial constraints in making this transition.
I haven't found much on the topic in my literary search, which may indicate a gap, but it may also indicate too narrow a field to pursue.
Is the founder transition from employee to manager a common occurrence? Is this a research topic worth pursuing?
I intend to use value-focused thinking to investigate energy technologies/resources to achieve energy transition.
I have identified four (4) values but need to prioritise them in order of importance before I use them to evaluate potential alternatives. The values are:
Adequacy of resources
Availability of resources (geographically)
Cleanliness of resources
Long term relevance
Kindly rank these values in order of importance.
Hi everyone,
I have been working on obtaining a transition state for the deprotonation of a carbocation by histidine, where I froze the bond lengths between the histidine nitrogen and the proton, as well as between the proton and the methyl group being deprotonated. This resulted in a single imaginary frequency of over -1000, and the transition state was confirmed through IRC calculations.
My question is: is such a transition state acceptable and publishable given that the bond lengths were frozen? I attempted to release the constraints and recalculate the transition state (including using key words like calcfc, calcall, scf=qc, IOP(1/8=1),, each besides this level of theory # opt=(ts,noeigen) freq mpw1pw91/6-31+g(d,p)), but the structure did not converge. Can I rely on the optimized transition state with frozen bonds, or should I keep trying to achieve a fully unconstrained optimization?
Thanks
I am currently working on obtaining the transition state for the deprotonation of a carbocation by histidine. Initially, I froze the bond lengths between the histidine nitrogen and the proton, as well as between the proton and the methyl group being deprotonated. This approach resulted in a single imaginary frequency of over -1000 cm⁻¹ (please see the attached files: 1_input and 1_output).
I then attempted to release these constraints and recalculate the transition state. I have tried various keyword combinations, including calcfc, calcall, scf=qc, and IOP(1/8=1) in conjunction with the level of theory # opt=(ts,noeigen) freq mpw1pw91/6-31+g(d,p). However, the structure did not converge. The energy oscillates uniformly without reaching a minimum (attached is a graph showing this behavior).
Could you provide any suggestions on how to address this issue ?
Thank you for your time and assistance.
Spin polarized calculations for a material can give different band structures and energy gaps for up and down spins. However, CASTEP in some cases gives an energy gap value corresponding to an electronic transition in which electron changes its spin (from up to down-spin bands or vice versa). This transition generally is forbidden. Why does CASTEP show this gap? Thanks!
In checking for child malnutrition in a household, if there is more than one child, some are malnourished while others are not and we want to check the resilience capacity of the household, how do we classify the household, malnourished or not? and this is to check transition from one state to another between years.
Mnxn is a non-negative real square matrix subject to a statistical condition,
∑Mi,j =1 for all lines i,
or ∑Mi,j =1 for all columns j,
Compared to the double statistical transition matrix B, its uses are limited to a few events such as:
* Predict the number of defective parts in the assembly line,
**Predict what percentage of a company's accounts receivable will become bad debt.
..etc..
While the double statistical transition matrix B can be used for almost all physical and mathematical events.
notations for these auger transitions
names of MNN, MMN, and NNN Auger transitions and their peak width
Transition supports for students with disabilities
From high school to college
We assume that it is possible to calculate finite numerical integration via statistical matrix mechanics (a product of the statistical method of Cairo techniques).
It is obvious that here it is not necessary to use FDM or any similar calculation method [1].
The finite statistical integration for 1D,2D,3D space is not complicated but a little long.
The starting point is to calculate the transfer matrix Dnxn given by the following expression [1],
Dnxn=1/(I-Bnxn)-I
Where B is the well-defined statistical transition matrix.
Then calculate the numerical statistical integration weights (Wi, j) of the bounded area (G) of x, y as follows:
Wi,j=Σ (sigma) D(i, j) on j/(Σ Σ D(i,j) on i, j.
Note that i, j replaces x, y.
Now, the statistical integration Ist of any function f(x, y) over the finite domain G will be given by,
Ist=Σf(x, y).(Wi, j) for all i, j.
It is worth mentioning that the first statistical integration Ist, although not complex, is more accurate than any other FDM technique.
[1]Effective unconventional approach to statistical differentiation and statistical integration, ResearchGate, IJISRT journal,
November 2022.
I am currently working on the design of an Intelligent Reflecting Surface (IRS/RIS/ metasurface) using CST Studio. I’ve encountered an issue where the S-parameters(S11) show a sudden change at my resonance frequency of 3.5 GHz. This behavior contrasts with what is often reported in IEEE papers, which typically show a smooth transition from 180 to -180 degrees.
My question is if this sudden change is expected or if it indicates a problem with my design or simulation setup ?
Additionally,Are there any process to bias the IRS in cst studio?
I have attached a graph showing the S-parameters for reference.
We assume that the Laplacian theorem is a combination of Stoke divergence theorem and curl theorem.
Since Div Curl = Nabla^2,then,
d/dt)partial U = D Nabla^2 U +S(U),
Which is equivalent to,
U(x,y,z,t+dt)= B . U(x,y,z,t)
The transition matrix B , valid for classical and quantum physics is subject to,
B + B^2 . . . + B^N = D(N)
And,
E= 1 / ( I - B) = D(N) for N tends to infinity.
Hello. Can anyone clarify if the transitivity of a novel (text) of 2000 words should be conducted word by word when you want to analyse the most prominent process type or Just write the results and their percentages in a paragraph? Is there a good sample of transitivity analysis that can guide me in this matter?
Thank you !
Pelin.
Hi.Could anyone suggest a few free software which is easy to use to conduct the transitivity of a text in a novel ?Thank you !
Dear RG members, IUGS is planning a new edition of the classical "Le Maitre" book devoted to the classification and nomenclature of igneous rocks. A group of 17 igneous petrologists (hereafter TGIR - Task Group on Igneous Rocks) is working for three years to update specific definitions or proposing entirely new sections.
As the Chair of the TGIR, I would like to start a discussion with all the interested people that want to give help concerning this task. I and the other members of the TGIR will start posting a series of arguments that will greatly benefit from your comments, so I hope to receive stimulating feedback.
Once having classified a rock to the alkaline series, the next step is usually to identify the alkali ratio to choose adjectives such as sodic-potassic-ultrapotassic.
Present IUGS definition:
The glossary section of the present IUGS classification of igneous rocks does not report any information on the adjectives "sodic", "potassic" or "ultrapotassic". The third edition has to fill this gap. IUGS only provides some info on the mildly alkaline rocks in the TAS diagram (i.e., those falling in the trachybasalt, basaltic trachyandesite and trachyandesite fields). The simple (but far from being satisfying) IUGS rule defines sodic a rock with Na2O wt% content (minus 2 wt%) higher than its K2O wt% and potassic if the Na2O wt% content (minus 2 wt%) is lower than its K2O wt%. For example, a rock with 5 wt% Na2O and 2 wt% K2O is considered as sodic, whereas a rock with 3 wt% Na2O and 2 wt% K2O is considered potassic. Remember that this distinction is considered valid only for the three mildly alkaline compositions (trachybasalts, basaltic trachyandesites and trachyandesites). Nothing is said about other compositions (e.g., ultrabasic, acid and strongly alkaline rocks).
In addition, IUGS considers a rock as "ultrapotassic" if molar K2O/Na2O is >3 (see section 2.7.2 of Le Maitre, 2002). No information is reported on the equivalent sodic term (i.e., “ultrasodic”). To conclude, IUGS reports only a short comment on the adjective “transitional” to be addressed to basalts only. According to IUGS the term “transitional basalt” should be avoided (it is not reported in bold in the Glossary of terms section). The IUGS definition for “transitional basalt” is “A variety of basalt transitional between typical tholeiitic basalt and alkali basalt. It consists of olivine, Ca-rich augite, plagioclase and titanomagnetite plus variable, but small, amounts of alkali feldspar. Ca-poor pyroxenes are absent.”.
To conclude, present IUGS rules are:
Sodic: (Na2O wt% - 2 wt%) > K2O wt% (valid for trachybasalts, basaltic trachyandesites and trachyandesites only).
Potassic: (Na2O wt% - 2 wt%) < K2O wt% (valid for trachybasalts, basaltic trachyandesites and trachyandesites only).
Transitional: No indication reported.
Ultrapotassic: molar K2O/Na2O >3
Ultrasodic: No indication reported.
Not definitive proposal of the IUGS TGIR:
1. Albeit not completely correct, we propose to deal with major oxides, not molar concentration, because it is much easier to manage oxides, without any special calculation.
2. The Na2O + K2O ratio has to be >3 wt%. We emphasize that this threshold value is not sufficient to avoid non-alkaline rocks (for example, non-alkaline acid rocks have Na2O + K2O up to 7), but it is the minimum ratio in case of basic-ultrabasic compositions.
3. MgO has to be >3 wt% to avoid major changes associated with fractional crystallization, following Foley et al., 1987 (Earth-Sci. Rev.). This means that rocks such as phonolites and trachytes could not be classified as ultrapotassic-potassic-transitional-sodic ultrasodic.
4. Ultrapotassic: K2O/Na2O >2 (Na2O/K2O <0.5); K2O >3 wt% (following Foley et al., 1987, Earth-Sci. Rev.).
5. Potassic: K2O/Na2O between 1 and 2.
6. Transitional: K2O/Na2O between 1 and 0.5.
7. Sodic: K2O/Na2O between 0.5 and 0.25 (Na2O/K2O between 2 and 4).
8. Ultrasodic: K2O/Na2O <0.25 (Na2O/K2O >4); Na2O <0.25.
We hope to receive your feedback about this proposal.
I'm interested in the earliest days of placental terrestrial locomotion in large herbivorous taxa. Phenacodus seems to be transitional in this regard. Any others?
Berry curvature is defined as \nabla_{R} \times \vec{A}, where \vec{A} is the Berry connection. Unavoidably, this formula involves partial differentiations of the eigenvectors, often leading to problematic situations where the wavefunction phase is singular (i.e., multivalued). In this case, infinities may appear in the curvature result, which are not connected in any way to degeneracies (i.e., monopoles). Berry, in his seminal paper, showed that there is a way to circumvent this by introducing his extended curvature formula that does not involve any differentiation of the eigenfunctions.
But how is this possible? The initial curvature definition and the extended curvature formula should result in exactly the same Berry field! That said, if there is any phase-related multivaluedness leading to abnormalities in the initial "classic" curvature definition, where do these abnormalities go when transitioning to the extended curvature formula? It should be noted that these abnormalities were truly a physical contribution (with a definite physical meaning) to Berry curvature, and cannot be eliminated in the extended Berry formula.
Hi all,
Has any one has access to literature covering the Factors consdiered/ impacting the Renewable Energy Transition for Corporates/Companies/Organization/institutions
Thanks in advance.
What are some common challenges faced by ICU survivors
as they transition back to everyday life?
Brillouin and Raman spectroscopy of the ferroelastic rutile-to-CaCl2 transition in SnO2 at high pressure: by Holger Hellwig, Alexander F. Goncharov, Eugene Gregoryanz, Ho-kwang Mao, and Russell J. Hemley
Phys. Rev. B 67, 174110 (2003)
I have found unusual pure cassiterite crystals with Raman spectroscopy, which show substantial differences from cubic, tetragonal, and orthorhombic cassiterite. See K. Balakrishnan et al. (2022).
The clean energy transition (CET) is central to the reversal of the challenges posed by climate change. However, many African countries do not have the funds needed to accelerate the clean energy transition, hence the need to leverage private finance through FDI. However, attracting the necessary FDI for CET is hampered by the nature of the African business environment, particularly the absence of regulatory alignment. The AFCTA's key objective is the establishment of uniform regulations and standards, thereby fostering a predictable, stable, and transparent business environment.
Since the implementation of the AFCTA, has there been a noticeable shift in the African business environment? If not, what factors are responsible for this?
What Stata command should I use for PSTR graph for transition function? To obtain a similar graph:
Can you explain the mechanisms involved in the transition from acute to chronic pain, and how can anaesthesiologists intervene effectively?
We are using pMSCV for transit expression of a protein.:
1. The gene was cloned in (between XhoI/EcoRI).
2. Transfection with lipofectmin 3000 to 293t cell.
3. After 48 hrs, GFP can be observed. 4. But my target by WB.
Please suggest what could be the problem
The transition from gel separatory serum tubes to lithium heparin gel tubes in the clinical laboratory.
In the research paper "The transition from gel separatory serum tubes to lithium heparin gel tubes in the clinical laboratory," what were the main factors considered in evaluating the impact of the transition on laboratory operations, and how were they assessed?
Dear connections, I’m currently searching for a PhD/Research position in the field of “Energy Transition”, with a strong interest in Energy Systems Analysis & Modeling as well as Clean Energy Technologies (EV,..).
My research track is in the field of energy market analysis & forecast using AI. In my M.Sc. thesis at The American University in Cairo, I managed to build an energy planning model using different ANN topologies, that will help in securing the balance between the energy supply and demand in the United Kingdom for different end-use sectors; domestic, industrial, transport, and services sectors. I also carried out a long-term forecasting for the UK's final energy consumption up to the year 2035, and analyzed the results comparing to the outlook of the UK’s governmental department of Business, Energy & Industrial Strategy (BEIS).
Being a Future Energy Leader at the World Energy Council and an energy transition advocate, I understand the importance of humanising energy and contributing to the global dialogue on energy and sustainability issues.
On the other hand, I have 11 years of professional experience in the oil and gas, refining, and petrochemical industries at Enppi, one of the leading engineering and EPC main contractors in the Middle East and Africa.
I am definitely open to expanding my career path in other "Energy Transition" fields of research, and open for relocation, if the PhD requires so.
Please let me know if there are any potential openings. Thank you.
I find that it is possible to link Balmer to Rydberg, once this link find it should become possible to calculate all the possible transitions in hydrogene using or balmer or Rydberg! I mean Balmer B should have an equation!
In the journal entitled “The Transition from Gel Separatory Serum Tubes to Lithium Heparin Gel Tubes in the Clinical Laboratory”, how is turnaround time measured in the study, and how did the transition into lithium heparin tubes affect its value, and why?
I'm eager for insights concerning the impact on sample quality and data integrity in the clinical laboratory.
Is there a difference in PLQY between direct transition type semiconductors and indirect transition type semiconductors? I am curious about how defects affect PLQY.
Also, what is the difference between Br defect concentration and Cl defect concentration for PLQY?
How might altering the name of Google's artificial intelligence, transitioning from Bard to Gemini, influence the public's perception and confidence in the technology? This inquiry explores the intricate dynamics of trust and comprehension that a mere change in nomenclature can evoke within the minds of individuals interacting with AI-powered systems.
I am working to find the Transition State of a chemical reaction using PySCF.
I got that conformation after Opt TS and got exactly 1 imaginary freq.
how do I confirm that the negative freq is the TS I expected?
In previous work I have used Gaussian 09 and Orca, I confirmed this by animating the frequency from the output in Avogadro, but I have not found a way to produce this kind of thing in PySCF. Thank you for helping.
According to the study entitled "The Transition from Gel Separatory Serum Tubes to Lithium Heparin Gel Tubes in the Clinical Laboratory," the transition to lithium heparin gel tubes can offer improvements in sample quality, analytical performance, workflow efficiency, and regulatory compliance, which may ultimately enhance the quality of patient care provided by the laboratory.
Dear Colleagues,
We are delighted to announce a call for abstracts for a Special Issue "Catalysing Cooperation in the Energy Transition: Enhancing Regulatory Frameworks for Energy Co-location, Cooperatives, and Communities" in the Journal of Energy & Natural Resources Law.
This Special Issue aims to explore the regulatory challenges and opportunities for different forms of cooperation in the energy transition, such as co-location of net zero energy technology and other land uses, cooperatives, and energy community structures.
We invite submissions that examine these co-models in various contexts, technologies, and jurisdictions, and propose regulatory solutions and reforms for energy systems. If you are interested, please send us a 500-word abstract and your current affiliation by 29th February 2024 (SI.COOP@outlook.com)
We will notify you of the outcome of your abstract by 10th March 2024.
For more information about the Special Issue and the JENRL, please visit https://www.tandfonline.com/journals/rnrl20.
We look forward to hearing from you soon.
Sincerely,
Maciej M. Sokołowski and Madeline Taylor
Guest Editors
Hi, I want to ask, how to make PTV Vissim can using Transit Signal Priorities? I watch several video, they said we can use VisVap for it. I made several logic, but still can't run this method. maybe some of you can help me to solve my problem. thanks.
In discourse analysis, how are the results shown in percentages in the transitivity of a text in a novel,could you please name a few text analysing free software?
"The apparent frequency threshold of 5.15 × 10⁴⁰ Hz at the 0-dimensional point is a significant theoretical threshold associated with the Big Bang scenario. This threshold signifies a high rate of oscillation or change within the theoretical framework, potentially representing a fundamental point where theoretical physics postulates a transition or event marking the origin of the universe. It serves as a hypothetical marker or boundary within theoretical discussions about the early universe and the conditions prevailing during the initial stages of the Big Bang.
At this frequency, the energy density or intensity of physical processes might be incredibly high, potentially pointing towards extreme conditions present during the cosmic inflation phase or at the onset of the universe's expansion. The theoretical implications of this threshold are that more advanced theories, such as quantum gravity, are needed to comprehend the physical phenomena occurring at such extreme scales."
This question contemplates the significance of exploring frequencies beyond the Planck threshold, particularly 5.15 × 10⁴⁰ Hz, associated with the 0-dimensional point within a theoretical framework linked to the Big Bang scenario. While the Planck length defines the smallest meaningful measurement of length within our current understanding and perception, the query raises a fundamental consideration about the mathematical or hypothetical significance of probing beyond this threshold.
The discussion questions the notion that the Planck length's limitation might solely stem from our current perceptual constraints beyond the Planck scale. It suggests that while our perception might be limited, mathematical explorations and theoretical frameworks could potentially extend beyond these perceived limitations. Therefore, the inquiry focuses on the theoretical and mathematical implications of investigating frequencies beyond the Planck threshold, questioning whether such explorations hold significance within the realm of theoretical physics and cosmology.
Is Transition Pore Assay a good assay for assessment of cardiac mitochondrial function in large animal experiments?
This term has been taken from Global Surface water Explorer.
It has been a few days since the elections here in the Netherlands, and an extensive discussion topic during the campaigns was the role of nuclear energy in the Dutch energy transition. Throughout the campaigns, I have often heard the argument that nuclear energy is a sustainable energy source. However, I know this is not true and has probably been derived from the fact that nuclear energy production does not emit GHGs. I do not think nuclear energy is sustainable because of the not-so-environmentally friendly practice of mining for uranium. What do you think about nuclear energy as a reliable option for the Dutch energy transition? Also, the CBS (Dutch statistics agency) states that 41% of energy in the Netherlands is from renewable sources, which I think is important to consider.
Hi all
I am studying a cationic cluster containing one molecule of methanol and one molecule of halobenzene, I am investigating a possible intra-cluster reaction leading to the formation of anisole, First I did QST3 calculations and got a reasonable transition state structure (with one imaginary frequency), as I do IRC calculations to verify that I get valid reactants and products structure however the total energy along IRC plot gives me a flat line (basically no energy difference throughout the path). does anyone know what does that mean? does it mean the transition state I found is not valid?
appreciate any help on this
Hi people,
Are there any potential challenges I should be aware of when transitioning from qualitative research in my thesis to a career as a professor in a university setting?
Regards,
Joane R.
The question aims to find out how the oil and gas industry can help accelerate the shift to a more circular economy in Nigeria.
N. Bohr once said that anyone who claims to understand SE, including himself, has either misunderstood or is simply a liar.
Therefore, it is expected that Q statistical quantum transition matrix chains or any other suitable chain can solve the time-dependent SE without the need for a mathematical solution of the SE equation or the need for the interpretation of Bohr/Copenhagen.
In such revolutionary solution techniques, you completely ignore SE as if it never existed.
It is worth comparing how the old steam train was replaced by the electric train: slowly but surely.
Believe it or not, transition matrix theory B suggests a reformulation of the Bohr/Copenhagen interpretation of the Schrödinger equation (SE).
We are now going into a minefield because most physicists and mathematicians would claim that SE is the most exact (true) equation and that it is SE that can judge and reform the transition matrix theory B and not the inverse (not true).
Here are some examples of the considerable success of transition matrix theory B:
i- Reformulation and numerical resolution of the time-dependent 3D PDE of Laplace and Poisson as well as the heat diffusion equation with Dirichlet boundary conditions in its most general form.
ii-Numerical solution formula for complicated double and triple integration via so-called statistical weights.
iii-Numerical derivation of the Normal/Gaussian distribution, numerical statistical solution of the Gamma function and Derivation of the Imperial Sabines formula for sound rooms.
...etc.
But the question arises, what does this explicitly suggest as a reform of the Bohr/Copenhagen interpretation?
We assume that the value of Planck's constant should be generalized to h or any other higher value chosen by nature itself for each particular physical situation.
HII
I want to perform QST2 or QST3 using gaussian 16 to determine the transition state. I have got several saddle points for reaction with single imaginary frequency. I am trying to get IRC trajectory starting with TS-geometry.
Should I go to run QST2 or QST3 after getting IRC path?. Or QST2 OR QST3 are necessary apart from TS-Berny to classify the transition state. Is the rout line of QST2 input is same as for TS?
Hello
I am searching for the Panel smooth transition regression Stata code.
Does anyone know of any available code for Stata?
Thank you
The world is in a state of transition. Climate change, population growth, and technological innovation are all driving change at an unprecedented pace. In this transition world, geoscientists are uniquely positioned to make a difference.
Geoscientists are the experts on the Earth. They understand its geology, hydrology, and ecology. They can use this knowledge to help us solve some of the most pressing challenges of our time, such as:
1. Mitigating the effects of climate change.
2. Understanding the science of climate change and global warming from deep time climate and forecasting future scenarios as guide for policymakers.
3. Finding new sources of energy
4. Managing water resources
5. Protecting the environment.
In a transition world, geoscientists will be in high demand. But how can you set yourself apart from the competition?
What are the long-term impacts of different tillage practices on soil structure, organic matter content, and overall soil health? How can we transition from conventional tillage to reduced or no-till systems in various agroecosystems?
Hi everyone,
Does anyone know how to compute transition dipole moment (TDM) between vibronic state using Molpro, Molcas, or Gaussian?
An example is to compute TDM between
v=1 at the ground state and
v=4 at the 1st excited state
Thanks in advance for sharing your expertise
The log file contains the x, y, and z components of the electric dipole moment (Au) from the ground state to the excited state.
Is there a way to convert the units of this electric dipole moment from Au to Debye?
Nature is linear, binary and symmetrical.
We assume that any statistical transition matrix M that satisfies the above conditions would generate the solution of PPDE with Dirichlet boundary conditions simply as,
W(x,y,z,t)= M(N).b
where b is the boundary vector working as the solution-generating agent and N is the number of time steps.
The boundary conditions b are no longer problematic but rather a source of simplified solutions.
Yes, it is entirely possible and reveals the beauty and precision of quantum mechanics when statistically understood.
We recall how the time-dependent heat equation is solved in its most general case without needing the heat PDE itself.
The question arises what are the details of similarity between the transition matrix B used in classical physics and the transition matrix Q used in quantum physics?
Hi!
I'm currenty transitioning into using a microplate reader. Right now, I use DNS to determinate reducing sugars from a fermentation supernatant. Recently the lab acquired a microplate reader and I would love to use it for all my analysis. Any sugestions?
Thank you!
Dear Colleagues,
Deadline: 15 January 2024
The energy transition, also known as the shift from fossil-based energy systems to low-carbon and renewable energy sources, is critical to addressing climate change. Environmental analyses guide the energy transition, as they provide valuable insights into the technical, economic, and social aspects of adopting renewable energy sources and mitigating climate change impacts.
Renewable energy sources are essential due to their potential to significantly reduce greenhouse gas emissions and curb reliance on fossil fuels. However, the integration of renewable energy into existing energy systems requires the consideration of various aspects, such as resource availability, intermittency, storage, and grid infrastructure, which necessitates sophisticated and comprehensive analyses.
Furthermore, the urgency of addressing climate change cannot be overstated in the context of energy transition. As the world faces the challenges of rising temperatures, changing weather patterns, and environmental degradation, transitioning to renewable energy sources is crucial to mitigate the impacts of climate change. Complex analyses play a pivotal role in evaluating the environmental, social, and economic impacts of energy systems, assessing the potential risks and benefits of renewable energy deployment, and informing policy and decision-making processes.
Research papers that contribute to the understanding of renewable energy sources, and climate change aspects in the context of energy transition are highly encouraged and welcomed to advance the knowledge and inform evidence-based policies in this critical field.
Keywords
- energy transition
- renewable energy
- system integration
- grid optimization
- clean and affordable energy
- climate change
- mitigation and adaptation
- environmental assessment
- complex systems
- data-driven models
Dr. Viktor Sebestyén
Guest Editor
We assume that the statistical weight SW for free nodes in a geometric shape is of extreme importance in mathematics and theoretical physics but is still absent.
However, SW, which is a dimensionless mathematical/physical quantity attached to the importance of the position of the node, can be well defined via the normal/Gaussian distribution curve or equivalently via the B-matrix transition chains.
Both approaches give exactly the same result, which shows that SW is uniquely defined.
Let's say I've a host-guest complex. I've two sets of Uv-Vis data, one where the host concentration is constant and the guest is varied and in the other the guest's concentration is constant and the host's concentration is varied. Is it possible to comment about the interaction between the two species from the perspective of d-d transitions?
I am using TS BERNY to optimize the transition state guess structure for my sn2 reaction mechanism. However, when I proceeded to do qst3 calculation, I would receive an error link 9999 all the time. What should I do?
I've worked on simulating 3D VIV (a cylinder forced by Karman vortex street) and been stuck with settings. Considering the transition to turbulence due to the oscillation of cylinder (Re≤200, laminar upstream), "SST k-ω coupling with intermittency transition" is my scheme now.
However, I'm not sure whether I should enable "intermittency transition" since I don't fully understand the statement given in the user's guide, which says "The Transition SST model is not Galilean invariant and should therefore not be applied to surfaces that move relative to the coordinate system for which the velocity field is computed; for such cases the Intermittency Transition model should be used instead."
I don't understand the bold sentence in the statement especially. Does it mean the moving surface of cylinder (in my case)?
Hope anyone can provide any guideline. Thank you so much.
The ZPL energy of internal optical transition in defect is estimated to be the difference between the excited state (calculated by constraining the excited state electronic configuration during relaxation) total energy and the ground state total energy. However, the constrain at the excited state can be done with LDIAG=.FALSE. or without it. LDIAG=.FALSE. do not allow rotation of orbitals during electronic optimization process and vice versa. Which is more accurate for calculating ZPL?
The absorbance peak in the UV graph represents the electronic transition in the material when expose to light. Any material has a specific optical band gap when it must show h single peak in a UV graph but mostly graph show more than one peaks or a very broad peak. Why?
Some genetic interpretation companies are using GRCh37 and others GRCh38, and right now there is data coming from both assemblies. It is easy to have data on the same person from both 37 and 38. I am hoping there is a way to compare and convert data from these two assemblies. Is anyone one providing a way the data can be compared or converted with a user friendly interface?
Many companies offering whole genome testing give limited accessibility to the data and only an in-house interpretation but they are making assumptions about what people want to know from the data that are often inappropriate. Am I missing knowing about new resources available for this transition time?
Thanks!
Susan
The demand for metals in the coming decades is expected to be booming due to the revolution occurring in the car industry and energy supply toward greener options. This phenomenon has led to a dilemma of how we should supply the metal required for this transition and achieve zero carbon emission targets. So my question is should we focus on mining new primary sources or pay attention to retrieving metals from generated solid wastes? What can be the proportion of each strategy in supplying metals? What's your opinion?