Electronic Structure Modeling 2024 pdf epub mobi 电子书

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发表于2024-11-27

Electronic Structure Modeling 2024 pdf epub mobi 电子书

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出版者:CRC

作者:Carl Trindle

出品人:

页数:504

译者:

出版时间:2008-05-28

价格:USD 99.95

装帧:Hardcover

isbn号码:9780849384066

丛书系列:

图书标签: 计算模拟量子化学电子结构物理化学

Electronic Structure Modeling 2024 pdf epub mobi 电子书图书描述

"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 2024 pdf epub mobi 电子书

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