hypothyroidism 发表于 2025-3-21 19:29:58

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整顿 发表于 2025-3-21 20:36:03

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SEED 发表于 2025-3-22 03:23:09

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无瑕疵 发表于 2025-3-22 08:29:15

Molecular Mechanicsedom even these semiempirical approaches become intractable. We are still a long way from the ideal of obtaining chemical results by solving the Schrödinger equation for a system of arbitrary size and complexity.

上腭 发表于 2025-3-22 10:24:26

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跳动 发表于 2025-3-22 16:47:03

thods are described in the second part of the book. In the third part, a survey is given of some areas in which the techniques of computational chemistry are being applied. As a result of the limited space available in a single volume, the areas covered are necessarily selective. Nevertheless, a sufficiently 978-1-4612-9262-3978-1-4613-2137-8

跳动 发表于 2025-3-22 20:51:34

Why Should We Use Quantum Theory? is an image with a long history dating from the heyday of the Industrial Revolution. These “traditional” chemists played a key role in the industrialization, which, as we all know, changed first the face of Britain and then the rest of the world over the last two hundred years.

合乎习俗 发表于 2025-3-22 22:14:43

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嘲笑 发表于 2025-3-23 02:46:37

General Conclusions and OutlookSoon after the advent of modern quantum theory in the late 1920s, Paul A. M. Dirac, the English physicist who shared the Nobel Prize for physics in 1933 with Austrian Erwin Schrödinger, wrote:

某人 发表于 2025-3-23 05:40:02

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查看完整版本: Titlebook: Chemistry by Computer; An Overview of the A Stephen Wilson Book 1986 Plenum Press, New York 1986 Chemical reaction.chemistry.computational