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ELF (Electron localization function) Calculation and Analysis ||Gaurav Jhaa

  The Electron Localization Function (ELF) is a useful tool in materials science that provides insight into the chemical bonding and properties of materials. The ELF is a measure of the tendency of electrons to localize in a specific region of space in a solid. The calculation of the ELF can be performed using various software tools, including the CASTEP tool in Materials Studio. What is the Electron Localization Function (ELF)? In chemistry and materials science, understanding the chemical bonding between atoms is crucial to predicting the properties of a material. The ELF is a measure of the electron density that is localized around an atom or a group of atoms. This function quantifies the degree of electron localization in a solid and provides information about the nature of the bonding. The ELF ranges from 0 to 1, with 1 indicating complete electron localization and 0 indicating uniform electron density throughout the system. Regions with high ELF values correspond to reg...

How to Survive as a PhD Scholar: Tips for a Successful Journey

  Pursuing a Ph.D. degree is a challenging but rewarding experience. It requires dedication, hard work, and a strong commitment to your research. However, you can make your journey more manageable and enjoyable with the right approach and mindset. In this blog, we will discuss some tips on how to survive as a Ph.D. scholar. Plan Your Research Before starting your research, it is crucial to create a plan. Your plan should include a timeline that outlines your research goals, milestones, and deadlines. This will help you stay organized and ensure that you are on track to complete your research within the given time frame. Break down your research into smaller, more manageable tasks, and prioritize them based on their importance. Build a Strong Support System During your Ph.D. journey, you will experience ups and downs. Having a strong support system can help you get through difficult times. You can build a support system by connecting with your peers, professors, and family m...

New concept of hybridization based on sp hybrid orbitals in three membered ring

Isomers hosting three epoxides prefer axial orientation by a huge margin (>40kcal/mol) despite having severe steric problems.  Among the two axial isomers, the ‘all-cis’ structure 1B is less stable than the cis-trans hy-brid 1A though the C-C bond alternation is moderate in 1B compared to 1A .  This reduced bond alternation in 1B along with the fact that it also has a planar cyclohexane ring unlike 1A suggests the possibility of cyclic conjuga-tion à la aromatic delocalization in 1B ; however, it is not dominating the energetics compared to the repulsive O…..O interactions. The splaying of cis oxygen atoms that adversely affect C-C bonding is less in 1B (0.600Ã…) than 1A (0.624Ã…), facilitating cyclic delocalization in ‘all-cis’ form.  Overlap Control of Conformations Bonding in epoxides is usually explained by two classical models, though both have their own drawbacks.  The popular bent ‘banana bond’ model of Coulson is borrowed from cyclopropane that uses...

Essential Steps for Starting a Successful Business from Scratch

  Identify your business idea: Think about what products or services you want to offer, and how you can differentiate yourself from competitors in the market. Conduct market research: Find out if there is a demand for your product or service, who your target audience is, and what your competition looks like. Create a business plan: Develop a plan that outlines your business goals, strategies for reaching those goals, and financial projections. A business plan will help you stay on track and give you a roadmap to follow. Determine your legal structure: Decide what type of legal entity you want to form, such as a sole proprietorship, partnership, LLC, or corporation. Each structure has its own advantages and disadvantages, so do your research and choose the one that best fits your needs. Register your business: Register your business with your state or local government, obtain any necessary licenses and permits, and register for taxes. Secure funding: Determine how mu...

How AI is Shaping the Future: Opportunities and Challenges

  The future of AI is expected to be transformative in various fields, from healthcare to transportation, finance, manufacturing, and beyond. Here are some potential developments that could shape the future of AI: Continued progress in machine learning: The development of more advanced machine learning algorithms will likely drive significant AI advancements. This includes deep learning, reinforcement learning, and other techniques that enable machines to learn from data and improve over time. Increased automation: As AI systems become more sophisticated, they can take on increasingly complex tasks, likely leading to greater automation in various industries. This could result in significant increases in efficiency, productivity, and job displacement. Improved natural language processing: AI systems are expected to become much better at understanding and responding to natural language, which could have significant implications for customer service, chatbots, and other appli...

The Dark Side of Social Media: Exploring the Negative Impacts on Mental Health, Privacy, and Society

Social media has become an integral part of our daily lives, offering various benefits such as staying connected with friends and family, discovering new information and opportunities, and expressing ourselves creatively. However, while social media has undoubtedly revolutionized the way we communicate, it also has a dark side that can negatively impact our mental health, privacy, and society as a whole. In this blog, we will explore the negative impacts of social media, including cyberbullying, addiction, misinformation, privacy concerns, FOMO, and polarization. We will also discuss how social media affects kids and provide tips for parents and guardians to protect their children's well-being. By shedding light on the dark side of social media, we aim to promote responsible digital citizenship and encourage individuals and platforms to address the negative impacts and work towards a safer and healthier online community. Cyberbullying: Cyberbullying can have serious consequences, ...

Choosing a Course after 12th: A Comprehensive Guide to All Courses

  Choosing a course after the 12th can be a daunting task as there are numerous options available in various fields. It is important to choose a course that aligns with your interests, strengths, and career aspirations. In this blog, we will discuss the various courses available in each field after the 12th. Science: Science is a popular stream among students who have a keen interest in Mathematics, Physics, Chemistry, and Biology. The following are some of the popular courses available in science after 12th: Engineering: Engineering is a popular course among science students. Some of the popular specializations in engineering include Computer Science and Engineering, Mechanical Engineering, Electronics and Communication Engineering, Electrical and Electronics Engineering, Civil Engineering, Chemical Engineering, Aerospace Engineering, Biomedical Engineering, etc. Computer Science and Engineering: Indian Institute of Technology (IIT), Delhi; Indian Institute of Technology (...