Electronic Structure Modeling pdf epub mobi txt 電子書下載 2024

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Carl Trindle

CRC

2008-05-28

504

USD 99.95

Hardcover

9780849384066

圖書標籤: 計算模擬量子化學電子結構物理化學

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发表于2024-11-13

Electronic Structure Modeling epub 下載 mobi 下載 pdf 下載 txt 電子書下載 2024

Electronic Structure Modeling pdf epub mobi txt 電子書下載 2024

圖書描述

"Electronic Structure Modeling" enables non-specialists to employ computational chemistry methods, including electronic structure calculations, to their investigations. Featuring electronic structure codes, this unique text illustrates theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce them using the accompanying PC-LOBE bundled software. While elucidating gradient-based molecular structure optimization, this text reviews notable successes and unsolved problems or failures in electronic structure modeling. It includes numerous tables, graphs, and figures throughout.

Electronic Structure Modeling 下載 mobi epub pdf txt 電子書