Schrodinger - Discovery workflows. Schrödinger’s drug discovery workflows enable teams to identify better drug candidates faster by digitally transforming the entire system with well-proven world-class computational solutions delivered in a centralized platform. This collaborative platform reconciled across an entire organization delivers cutting-edge ...

 
WaterMap is based on inhomogeneous solvation theory of Lazaridis and Karplus, J Phys Chem B 102, p3531, where enthalpy is taken directly from nonboded interactions and entropy is computed from a local expansion of spatial and orientational correlation functions. Efficiently converged MD simulations are run with explicit water molecules, and .... 20180305_publikation_amf_migration_vdhi.pdf

Aug 29, 2020 · Schrodinger Suites is an impressive application known for computational chemicals, providing solutions and complete services to all branches of life science and materials science. It has numerous tools and a wide range of features, from molecular modeling to the design and manufacture of medicines. WaterMap is based on inhomogeneous solvation theory of Lazaridis and Karplus, J Phys Chem B 102, p3531, where enthalpy is taken directly from nonboded interactions and entropy is computed from a local expansion of spatial and orientational correlation functions. Efficiently converged MD simulations are run with explicit water molecules, and ...The Schrödinger platform integrates predictive physics-based simulation with machine learning techniques to accelerate materials design. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and characterization. Promising compounds emerging from successive synthetic rounds ... Sales: +1 800 207 7482. [email protected]. Contact Sales. Scientific and Technical Support: +1 888 891 4701. +49 621 92108001. Contact Support. Employment Verification:Schrodinger Inc. Schrödinger, Inc. engages in the provision of chemical simulation software solutions to pharmaceutical industry. It operates through the Software and Drug Discovery business ... The 2020-3 release is the last to run the standalone Canvas application by default. Key cheminformatics functionality from Canvas is now integrated in the Maestro application and the LiveDesign platform.If the standalone Canvas application serves a unique purpose to you that is not satisfied by Maestro or LiveDesign, let us know at [email protected] software: Maestro is an OpenGL application. It does not support DirectX stereo on Windows. Graphics card: The Nvidia Quadro series of graphics cards is the only current option for use of quad-buffered stereo with Maestro. On Linux, the graphics card must have a 3-pin mini-DIN to connect to the emitter if an external emitter is used.Below is the article summary. For the full article, see Erwin Schrödinger . Erwin Schrödinger, (born Aug. 12, 1887, Vienna, Austria—died Jan. 4, 1961, Vienna), Austrian physicist. He taught physics in Zürich (1921–27) and Berlin (1927–33), then left Germany, objecting to the persecution of Jews. He settled in Ireland, where he joined ...Sales: +1 800 207 7482. [email protected]. Contact Sales. Scientific and Technical Support: +1 888 891 4701. +49 621 92108001. Contact Support. Employment Verification:Schrödinger is excited to be participating in the The Battery Show conference taking place on September 12th-14th at the Suburban Collection Showplace in Novi, Michigan. Visit us at Booth #3311 to gain hands-on experience with Schrödinger software and meet our expert computational scientists. September 12, 2023 to September 14, 2023.Erwin Schrodinger (1887-1961) was an Austrian physicist and one of the founders of the science of quantum mechanics. He developed a famous and extremely useful equation, ...Complete Schrodinger Inc. stock information by Barron's. View real-time SDGR stock price and news, along with industry-best analysis.A recent investigation that resurfaced damning evidence that famed physicist Erwin Schrödinger was a pedophile is continuing to make waves in the academic community. Schrödinger, widely cited as ... Maestro is the graphical user interface (GUI) that is the foundation of the Schrödinger platform. Maestro is the culmination of years of research and development, led by industry-leading experts working closely with our users. Maestro was created to be the user environment that is both intuitive and allows our users to get work done efficiently. Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ...Materials Science. LiveDesign is an enterprise informatics platform that enables teams to rapidly advance materials discovery projects by collaborating, designing, experimenting, analyzing, tracking, and reporting in a centralized platform. This collaborative ideation solution enables teams of computational, synthetic, analytical, and process ...May 18, 2022 · Windows. Open the Schrodinger Command Prompt or Schrodinger Power Shell . Enter: postmortem -autoreplace JOBID. To find the job id of the failed job, enter: jobcontrol -list all. to list all your jobs. The job id is in the left column. Schrodinger Inc. Schrödinger, Inc. engages in the provision of chemical simulation software solutions to pharmaceutical industry. It operates through the Software and Drug Discovery business ... Erwin Schrödinger, (born August 12, 1887, Vienna, Austria—died January 4, 1961, Vienna), Austrian theoretical physicist who contributed to the wave theory of matter and to other fundamentals of quantum mechanics. He shared the 1933 Nobel Prize for Physics with British physicist P.A.M. Dirac.The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence.Con mèo của Schrödinger. Trạng thái của mèo, mô tả theo cách hiểu Copenhagen về cơ học lượng tử, là chồng chập của sống và chết, cho đến khi có người mở hòm ra xem. Thế nhưng theo trực giác, trong thế giới vĩ mô, con mèo chỉ có thể ở một trong hai trạng thái cơ bản ...H^(r, θ, φ)ψ(r, θ, φ) = Eψ(r, θ, φ) (11.10.1) employs the same kinetic energy operator, T^, written in spherical coordinates. For the hydrogen atom, however, the distance, r, between the two particles can vary, unlike the diatomic molecule where the bond length was fixed, and the rigid rotor model was used.Schrodinger was a physicist and saw what he thought was a problem with a specific interpretation of quantum mechanics around the law of superposition. This law states that subatomic particles can exist in multiple states and positions at one time.Schrodinger Inc. Schrödinger, Inc. engages in the provision of chemical simulation software solutions to pharmaceutical industry. It operates through the Software and Drug Discovery business ...Interested in hosting a hands-on workshop at your university? Send us an email at [email protected]. Webinars. Additionally, Schrödinger presents several online webinars throughout the course of each year on a wide range of topics. Click here to find a list of upcoming webinars, or click here to peruse past webinars in the archive.The 2020-3 release is the last to run the standalone Canvas application by default. Key cheminformatics functionality from Canvas is now integrated in the Maestro application and the LiveDesign platform.If the standalone Canvas application serves a unique purpose to you that is not satisfied by Maestro or LiveDesign, let us know at [email protected] collaborations have to date resulted in two FDA approved drugs and multiple programs that have advanced into clinical trials. COLLABORATOR. Undisclosed. Undisclosed. Collaborator Pipeline. Indication. Discovery PRECLINICAL PHASE 1 PHASE 2 PHASE 3 FDA APPROVED. COLLABORATOR. COLLABORATOR INDICATION.She is responsible for the business, science, and development of Schrodinger's enterprise informatics and modeling platform, LiveDesign, and has overseen its growth across the pharmaceutical industry. In addition, she leads the Discovery Informatics team to support Schrodinger's collaborative and wholly owned internal drug discovery programs.Fast Facts: Erwin Schrödinger. Full Name: Erwin Rudolf Josef Alexander Schrödinger. Known For: Physicist who developed the Schrödinger equation, which signified a great stride for quantum mechanics. Also developed the thought experiment known as “Schrödinger’s Cat.”. Born: August 12, 1887 in Vienna, Austria.The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence.This Twist on Schrödinger’s Cat Paradox Has Major Implications for Quantum Theory. A laboratory demonstration of the classic “Wigner’s friend” thought experiment could overturn cherished ...The Schrödinger platform integrates predictive physics-based simulation with machine learning techniques to accelerate materials design. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and characterization. Promising compounds emerging from successive synthetic rounds ... To make use of GPU cards for Desmond calculations, the schrodinger.hosts file must be configured for each host. For example, on your local workstation, you could add the following entry: # Local workstation name: myhostname host: localhost processors: 4 tmpdir: /usr/tmp gpgpu: 0, Tesla V100. This indicates that the local workstation has a ...2 days ago · Schrodinger stock has received a consensus rating of buy. The average rating score is and is based on 11 buy ratings, 9 hold ratings, and 0 sell ratings. What was the 52-week low for Schrodinger ... This is the top level package for all Schrodinger modules. The main modules of interest are schrodinger.structure and the ones in the schrodinger.structutils package. The Python Module Overview included with the Schrodinger distribution gives an expository introduction to the Schrodinger Python API.She is responsible for the business, science, and development of Schrodinger's enterprise informatics and modeling platform, LiveDesign, and has overseen its growth across the pharmaceutical industry. In addition, she leads the Discovery Informatics team to support Schrodinger's collaborative and wholly owned internal drug discovery programs. Schrodinger Inc is a healthcare-based software company. Its operating segments are Software and Drug discovery. Through the Software segment, the company is focused on selling software to ...Interested in hosting a hands-on workshop at your university? Send us an email at [email protected]. Webinars. Additionally, Schrödinger presents several online webinars throughout the course of each year on a wide range of topics. Click here to find a list of upcoming webinars, or click here to peruse past webinars in the archive.Below is the article summary. For the full article, see Erwin Schrödinger . Erwin Schrödinger, (born Aug. 12, 1887, Vienna, Austria—died Jan. 4, 1961, Vienna), Austrian physicist. He taught physics in Zürich (1921–27) and Berlin (1927–33), then left Germany, objecting to the persecution of Jews. He settled in Ireland, where he joined ... Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ...hbspt.forms.create({ region: "na1", portalId: "21783038", formId: "55f7f0e2-8f3f-402f-b884-0a1f4042b8df" }); Schrodinger's Cat is not even part of any scientific theory. Schrodinger's Cat was simply a teaching tool that Schrodinger used to illustrate how some people were misinterpreting quantum theory. Schrodinger constructed his imaginary experiment with the cat to demonstrate that simple misinterpretations of quantum theory can lead to absurd ...Aug 10, 2023 · Non-EDGAR filing. Other. SCHRODINGER, INC. 0001950047-23-002894.pdf. 0001950047-23-002894.rtf. View HTML. Aug 03, 2023. 3. Initial filing by director officer or owner of more than ten percent. Erwin Schrödinger proposed the quantum mechanical model of the atom, which treats electrons as matter waves. Schrödinger's equation, H ^ ψ = E ψ. \hat {H}\psi=E\psi H ^ψ = E ψ. H, with, hat, on top, \psi, equals, E, \psi. , can be solved to yield a series of wave function.Aug 3, 2023 · Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical, biotechnology, and materials research. The Schrödinger platform integrates predictive physics-based simulation with machine learning techniques to accelerate materials design. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and characterization. Promising compounds emerging from successive synthetic rounds ...Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ...THE DATA-DRIVEN SCHRODINGER BRIDGE 3¨ Notice that these examples involve prior transition probabilities suited to the particular application being considered, while Schrodinger’s original proposal re-¨ stricted attention to the Wiener process. 1.2 The methodology The solution to the Schrodinger Bridge Problem can be factorized in the form¨Schrodinger asks what place consciousness occupies in the evolution of life, and what part the state of development of the human mind plays in moral questions. Brought together with these two classics are Schr dinger's autobiographical sketches, published and translated here for the first time.Fast Facts: Erwin Schrödinger. Full Name: Erwin Rudolf Josef Alexander Schrödinger. Known For: Physicist who developed the Schrödinger equation, which signified a great stride for quantum mechanics. Also developed the thought experiment known as “Schrödinger’s Cat.”. Born: August 12, 1887 in Vienna, Austria.If the substance decays, the Geiger counter detects the radiation and triggers the hammer to break the glass bottle, releasing the gas into the box, which would in turn kill the cat. If the ...Revenue. $181 Million (2022) [1] Number of employees. 1015. Website. www .schrodinger .com. Schrödinger, Inc. is an international scientific software company that specializes in developing computational tools and software for drug discovery and materials science. Schrodinger's software is used by pharmaceutical companies, biotech firms, and ... The Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. [1] : 1–2 Its discovery was a significant landmark in the development of quantum mechanics.2 days ago · Schrodinger stock has received a consensus rating of buy. The average rating score is and is based on 11 buy ratings, 9 hold ratings, and 0 sell ratings. What was the 52-week low for Schrodinger ... Schrodinger approached her when he was 53 years old. Her astonished family asked a Catholic priest to intervene. As Moore’s biography explained, the priest “had a serious word with [email protected]: 主な事業内容 : 日本における Schrödinger 製品の営業 ・サポート統括会社: 代表者 : 佐藤 知子 （代表取締役社長) Paul Davie (代表取締役) 親会社: Schrödinger, Inc. 1990 年に設立され、現在では米国各所、 ヨーロッパ、インド、日本、中国、Schrodinger Suites is an impressive application known for computational chemicals, providing solutions and complete services to all branches of life science and materials science. It has numerous tools and a wide range of features, from molecular modeling to the design and manufacture of medicines.Jul 30, 2013 · Schrodinger constructed his imaginary experiment with the cat to demonstrate that simple misinterpretations of quantum theory can lead to absurd results which do not match the real world. Unfortunately, many popularizers of science in our day have embraced the absurdity of Schrodinger's Cat and claim that this is how the world really works. hbspt.forms.create({ region: "na1", portalId: "21783038", formId: "55f7f0e2-8f3f-402f-b884-0a1f4042b8df" }); H^(r, θ, φ)ψ(r, θ, φ) = Eψ(r, θ, φ) (11.10.1) employs the same kinetic energy operator, T^, written in spherical coordinates. For the hydrogen atom, however, the distance, r, between the two particles can vary, unlike the diatomic molecule where the bond length was fixed, and the rigid rotor model was used.Mar 1, 2022 · Schrodinger 2021 是一款专业的药品研究设备软件。. 这款软件使用目的是为用户提供强大的功能和领先的技术，为用户提供药物设计和开发所需的一切，帮助研究人员快速进行分子建模、药物设计和制造，并为在舒适的环境中快速构建相关材料的化学结构提供简洁 ... Apr 28, 2022 · To make use of GPU cards for Desmond calculations, the schrodinger.hosts file must be configured for each host. For example, on your local workstation, you could add the following entry: # Local workstation name: myhostname host: localhost processors: 4 tmpdir: /usr/tmp gpgpu: 0, Tesla V100. This indicates that the local workstation has a ... Sales: +1 800 207 7482. [email protected]. Contact Sales. Scientific and Technical Support: +1 888 891 4701. +49 621 92108001. Contact Support. Employment Verification: シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ... QUICK FACTS. Name: Erwin Schrödinger. Birth Year: 1887. Birth date: August 12, 1887. Birth City: Vienna. Birth Country: Austria. Gender: Male. Best Known For: Erwin Schrödinger was a Nobel Prize ...Erwin Schrödinger was awarded the 1933 Nobel Prize in Physics with Paul Adrien Maurice Dirac "for the discovery of new productive forms of atomic theory." Schrodinger worked at many institutions throughout his career, including University of Vienna, University of Zurich, the Friedrich Wilhelm University of Berlin, University of Oxford, and the ... H^(r, θ, φ)ψ(r, θ, φ) = Eψ(r, θ, φ) (11.10.1) employs the same kinetic energy operator, T^, written in spherical coordinates. For the hydrogen atom, however, the distance, r, between the two particles can vary, unlike the diatomic molecule where the bond length was fixed, and the rigid rotor model was used.THE DATA-DRIVEN SCHRODINGER BRIDGE 3¨ Notice that these examples involve prior transition probabilities suited to the particular application being considered, while Schrodinger’s original proposal re-¨ stricted attention to the Wiener process. 1.2 The methodology The solution to the Schrodinger Bridge Problem can be factorized in the form¨ Jul 30, 2013 · Schrodinger constructed his imaginary experiment with the cat to demonstrate that simple misinterpretations of quantum theory can lead to absurd results which do not match the real world. Unfortunately, many popularizers of science in our day have embraced the absurdity of Schrodinger's Cat and claim that this is how the world really works. Jul 7, 2021 · Summary. Schrodinger is a computational, physics-based molecule discovery platform that is looking to improve human health and quality of life. They are trying to do this by optimizing and ... Real-size cat figure in the garden of Huttenstrasse 9, Zurich, where Erwin Schrödinger lived 1921 – 1926. Depending on the light conditions, the cat appears either alive or dead. Schrödinger's cat is a thought experiment about quantum physics. Erwin Schrödinger suggested it in 1935, in reaction to the Copenhagen interpretation of quantum ...Erwin Schrödinger. (Viena, 1887 - id., 1961) Físico austriaco que compartió el Premio Nobel de Física del año 1933 con Paul Dirac por su contribución al desarrollo de la mecánica cuántica. Ingresó en 1906 en la Universidad de Viena, en cuyo claustro permaneció, con breves interrupciones, hasta 1920. Sirvió a su patria durante la ...The Schrödinger platform integrates predictive physics-based simulation with machine learning techniques to accelerate materials design. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and characterization. Promising compounds emerging from successive synthetic rounds ...Schrodinger asks what place consciousness occupies in the evolution of life, and what part the state of development of the human mind plays in moral questions. Brought together with these two classics are Schr dinger's autobiographical sketches, published and translated here for the first time.Maestro is the graphical user interface (GUI) that is the foundation of the Schrödinger platform. Maestro is the culmination of years of research and development, led by industry-leading experts working closely with our users. Maestro was created to be the user environment that is both intuitive and allows our users to get work done efficiently.The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence. [email protected]: 主な事業内容 : 日本における Schrödinger 製品の営業 ・サポート統括会社: 代表者 : 佐藤 知子 （代表取締役社長) Paul Davie (代表取締役) 親会社: Schrödinger, Inc. 1990 年に設立され、現在では米国各所、 ヨーロッパ、インド、日本、中国、Linearity. The Schrödinger equation is a linear differential equation, meaning that if two state vectors and are solutions, then so is any linear combination. of the two state vectors where a and b are any complex numbers. [13] : 25 Moreover, the sum can be extended for any number of state vectors. シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ... [email protected]: 主な事業内容 : 日本における Schrödinger 製品の営業 ・サポート統括会社: 代表者 : 佐藤 知子 （代表取締役社長) Paul Davie (代表取締役) 親会社: Schrödinger, Inc. 1990 年に設立され、現在では米国各所、 ヨーロッパ、インド、日本、中国、シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ...Listen to article. Erwin Schrödinger’s most famous thought experiment became known as “Schrödinger’s cat”: A cat is in a box with a vial of poison. The vial breaks if an atom inside the box decays. The atom is superposed in decay and non-decay states until it is observed, and thus the cat is superposed in alive and dead states.The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence.Capital-wise, Schrodinger is profitable. In 2020, its operating cash flow amounted to $16.76 million, a significant improvement over the negative $26.05 million in operating cash flow it brought ...Schrodinger asks what place consciousness occupies in the evolution of life, and what part the state of development of the human mind plays in moral questions. Brought together with these two classics are Schr dinger's autobiographical sketches, published and translated here for the first time.Jan 18, 2023 · Image: Shutterstock / Built In. Schrödinger’s Cat is a thought experiment devised by the Austrian physicist Erwin Schrödinger, which he designed to illustrate a paradox of quantum superposition wherein a hypothetical cat may be considered both alive and dead simultaneously because its fate is linked to a random event that may (or may not ... The Schrödinger platform integrates predictive physics-based methods with machine learning techniques to accelerate drug discovery. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project ...

The Schrödinger Platform. Unleash the possibilities of molecular design with a digital chemistry platform that is governed by physics, amplified by machine learning, and optimized through team-based intelligence.. Mazda cx 5 rear hatch won

schrodinger

Aug 8, 2023 · Erwin Schrodinger, Austrian theoretical physicist who contributed to the wave theory of matter and to other fundamentals of quantum mechanics. He also made significant contributions to nearly all branches of science and philosophy. He shared the 1933 Nobel Prize for Physics with British physicist P.A.M. Dirac. Discovery workflows. Schrödinger’s drug discovery workflows enable teams to identify better drug candidates faster by digitally transforming the entire system with well-proven world-class computational solutions delivered in a centralized platform. This collaborative platform reconciled across an entire organization delivers cutting-edge ... Jun 28, 2022 · Founded in 1990, Schrödinger has over 700 employees and is engaged with customers and collaborators in more than 70 countries. To learn more, visit www.schrodinger.com follow us on LinkedIn and Twitter, or visit our blog, Extrapolations.com. Cautionary Note Regarding Forward-Looking Statements lee, 20. watch me LIVE over on twitch lad. #shorts channelEssentially a wave equation, the Schrödinger equation describes the form of the probability waves (or wave functions [ see de Broglie wave ]) that govern the motion of small particles, and it specifies how these waves are altered by external influences.Sep 21, 2018 · Fast Facts: Erwin Schrödinger. Full Name: Erwin Rudolf Josef Alexander Schrödinger. Known For: Physicist who developed the Schrödinger equation, which signified a great stride for quantum mechanics. Also developed the thought experiment known as “Schrödinger’s Cat.”. Born: August 12, 1887 in Vienna, Austria. Interested in hosting a hands-on workshop at your university? Send us an email at [email protected]. Webinars. Additionally, Schrödinger presents several online webinars throughout the course of each year on a wide range of topics. Click here to find a list of upcoming webinars, or click here to peruse past webinars in the archive.Apr 28, 2022 · To make use of GPU cards for Desmond calculations, the schrodinger.hosts file must be configured for each host. For example, on your local workstation, you could add the following entry: # Local workstation name: myhostname host: localhost processors: 4 tmpdir: /usr/tmp gpgpu: 0, Tesla V100. This indicates that the local workstation has a ... Erwin Schrodinger was one of the key figures in quantum physics, even before his famous "Schrodinger's Cat" thought experiment.He had created the quantum wave function, which was now the defining equation of motion in the universe, but the problem is that it expressed all motion in the form of a series of probabilities—something which goes in direct violation to how most scientists of the ...Biographical. E rwin Schrödinger was born on August 12, 1887, in Vienna, the only child of Rudolf Schrödinger, who was married to a daughter of Alexander Bauer, his Professor of Chemistry at the Technical College of Vienna. Erwin’s father came from a Bavarian family which generations before had settled in Vienna. OPLS4 produces accurate predictions of solvation free energies and binding free energies, leading to more accurate rank ordering among congeneric series of compounds. Virtual sites. A single atom-centered charge is often inadequate for describing the true electrostatic nature of a chemical environment. Halogen bonding, chalcogen bonding and ... Listen to article. Erwin Schrödinger’s most famous thought experiment became known as “Schrödinger’s cat”: A cat is in a box with a vial of poison. The vial breaks if an atom inside the box decays. The atom is superposed in decay and non-decay states until it is observed, and thus the cat is superposed in alive and dead states. Discovery workflows. Schrödinger’s drug discovery workflows enable teams to identify better drug candidates faster by digitally transforming the entire system with well-proven world-class computational solutions delivered in a centralized platform. This collaborative platform reconciled across an entire organization delivers cutting-edge ...シュレーディンガー株式会社の採用・求人情報ページです。シュレーディンガー株式会社 最先端の計算化学 ....

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