Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
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Good and free alternatives to Draw 2D molecular structures are hard to find but you can always use ChemDoodle that is very inexpensive and feature rich to get high quality results and analysis. The customer service is the best: https://www.chemdoodle.com/
**demographics**
Do you identify as:
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Which density functional gives the best results for excitation energies?
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LDA
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GGA
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Hybrid GGA
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Meta GGA
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Hybrid meta GGA
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Double hybrid
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Molecular_Orbitals_and_Organic_Chemical_Reactions_Student_Edition.pdf
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Molecular Orbitals and Organic Chemical Reactions - Student Edition
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The Mulliken charge scheme is a reliable and useful way to describe charge and population analysis in a chemical system.
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True
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Super-elastic alloy is first known metal to get springier as it heats up

City University of Hong Kong researchers have accidentally discovered a first-of-its-kind alloy that retains its stiffness instead of softening as the temperature rises. Indeed, high-entropy Elinvar appears to get stiffer and springier as temperatures approach 1,000 K (727°C, 1,341 °F). No other known metals have been found to behave this way.

In addition to the Elinvar effect, this metal also displays an elastic limit of about 2 percent at room temperature. You can see the extraordinary spring-back power of this high-entropy Elinvar alloy demonstrated in a room-temperature ball bearing drop test in the video.