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Quantum Chemistry: Step-by-Step Chemistry Series
After working our way through chemical reactions, solutions and structure and bonding, we close out our step-by-step chemistry series with quantum chemistry. Quantum chemistry is the application of quantum mechanics to atoms and molecules in order to understand their properties.
Have you ever wondered why the periodic table is structured the way it is or why chemical bonds form in the first place? The answers to those questions and many more come from quantum chemistry. Wolfram|Alpha and its step-by-step chemistry offerings won’t make the wave-particle duality any less weird, but they will help you connect chemical properties to the underlying quantum mechanical behavior.
The step-by-step solutions provide stepwise guides that can be viewed one step at a time or all at once while working through a problem. Read on for example problems covering orbital diagrams, frequency and wavelength conversions, and mass-energy equivalence.
Structure and Bonding: Step-by-Step Chemistry Series
We’re back this week with more chemistry, to explore molecular structure and bonding with Wolfram|Alpha and its step-by-step chemistry offerings. Read more on chemical reactions and solutions from previous weeks, and join us next week for our final installment on quantum chemistry!
Structure and bonding in chemistry refer to where the atoms in a molecule are and what holds those atoms together. Molecules are held together by chemical bonds between the atoms comprising the molecule. Understanding the interplay between molecular structure and the electrons involved in bonding is what facilitates the design of new molecules, the control of chemical reactions and a better understanding of the molecules around us.
To master structure- and bonding-related calculations, the step-by-step solutions provide stepwise guides that can be viewed one step at a time or all at once. Read on for example problems covering Lewis structures, oxidation numbers and orbital hybridization.
Chemical Solutions: Step-by-Step Chemistry Series
Last week, we kicked off a four-part series on Wolfram|Alpha's step-by-step chemistry offerings with chemical reactions. Future posts will cover chemical structure and bonding along with quantum chemistry. We continue this week with chemical solutions, another foundational component of all chemistry classes.
From the blood in your veins to the oceans covering the planet, solutions are everywhere! Understanding their chemical properties is essential to sustaining life, creating new materials and treating illness. As such, disciplines ranging from biology to material science to the health professions all must be comfortable doing solution-related computations.
To master such calculations, the step-by-step results provide stepwise guides that can be viewed one step at a time or all at once. Read on for example problems covering solute concentration, solution preparation, pKa and colligative properties.
非線形偏微分方程式への有限要素法の適用
Mathematica 12 has powerful functionality for solving partial differential equations (PDEs) both symbolically and numerically. This article focuses on, among other things, the finite element method (FEM)–based solver for nonlinear PDEs that has been newly implemented in Version 12. After briefly reviewing basic syntax of the Wolfram Language for PDEs, including how to designate Dirichlet and Neumann boundary conditions, we will delineate how Mathematica 12 finds the solution of a given nonlinear problem with FEM. We then show some examples in physics and chemistry, such as the Gray–Scott model and the time-dependent Navier–Stokes equation. More information can be found in the Wolfram Language tutorial “Finite Element Programming,” on which most of this article is based.
1. はじめに
Wolfram Research社の旗艦製品であるMathematicaは,5,000 を超える組み込み関数を有するWolfram Languageを駆動する.数理モデリング,解析の基本となる常・偏微分方程式の分野においては,これらをシンボリックに,あるいは数値的に解くための強力なソルバを搭載している.最近は有限要素法(FEM) を利用した数値的求解機能が大幅に強化され,偏微分方程式(PDE)を任意の領域上で解いたり,固有値・固有関数を求めたりすることが可能となった.ここでは,最新のバージョン12における非線形偏微分方程式のFEMによる求解を中心に,現実的な問題に応用する上での流れを例とともに紹介する.なお,有限要素法を用いて非線形PDEを解くワークフローの詳細,コードはすべて公開されている.MathematicaのWolframドキュメント内で,チュートリアル“FiniteElementProgramming”を参照いただきたい.
Chemistry Step-by-Step Solutions: Chemical Reactions
If you’re studying chemistry or are in a discipline requiring chemistry prerequisite courses, then you know how expensive the required textbooks can be. To combat this, the chemical education community has developed open educational resources to provide free chemistry textbooks. However, although free textbooks keep cash in your wallet, they don’t include solution guides for all the homework problems.
Luckily, the Step-by-Step Solutions feature of Wolfram|Alpha has got your back! Whether you’re studying remotely or collaborating via video conferencing, Wolfram|Alpha helps you learn and apply the problem-solving frameworks for chemical word problems. The step-by-step solutions provide stepwise solution guides that can be viewed one step at a time or all at once. The guides not only hone efficient problem solving, but also facilitate digging deeper into concepts that might still be murky.Advancing Coding Skills, Teamwork & Computational Thinking at the Wolfram Emerging Leaders Program
Finally We May Have a Path to the Fundamental Theory of Physics… and It’s Beautiful
I Never Expected This It’s unexpected, surprising—and for me incredibly exciting. To be fair, at some level I’ve been working towards this for nearly 50 years. But it’s just in the last few months that it’s finally come together. And it’s much more wonderful, and beautiful, than I’d ever imagined. In many ways it’s the […]
Computational Explorations of the Coronavirus on Wolfram Community
When the world is in distress, Wolfram users turn to computation! Even in the midst of this global pandemic, Wolfram staff, friends and colleagues continue to show the power of computational curiosity. We’ve provided a centralized COVID-19 data and resources page, with ways to get free licenses for Wolfram technology through August, livestreamed multiparadigm explorations into the science and data behind the virus, computational explorations from Wolfram users and more. This resource will be continually updated, so make sure to check back often!
Our community of staff and users have been incredibly active, creating their own innovative resources and exploring available data from many different angles. Wolfram Community gathers talented and experienced data scientists, biologists, chemists, supply chain experts, epidemiologists, mathematicians, physicists and more. In recent weeks, we’ve seen a flurry of activity and exploration, a willingness to share ideas and information, and mutual encouragement from industry professionals and high-school students alike.