紀錄類型: |
書目-電子資源
: Monograph/item
|
正題名/作者: |
Computational chemistry/ by Errol G. Lewars. |
其他題名: |
introduction to the theory and applications of molecular and quantum mechanics / |
作者: |
Lewars, Errol G. |
出版者: |
Cham :Springer International Publishing : : 2024., |
面頁冊數: |
xvi, 749 p. :ill., digital ;24 cm. |
內容註: |
An Outline of What Computational Chemistry is All About -- The Concept of the Potential Energy Surface -- Molecular Mechanics -- Introduction to Quantum Mechanics in Computational Chemistry -- Ab Initio Calculations -- Semiempirical Calculations -- Density Functional Calculations -- Some "Special" Topics: (Section 8.1) Solvation, (Section 8.2) Singlet Diradicals, (Section 8.3) A Note on Heavy Atoms and Transition Metals -- Selected Literature Highlights, Books, Websites, Software and Hardware. |
Contained By: |
Springer Nature eBook |
標題: |
Computational chemistry. - |
電子資源: |
https://doi.org/10.1007/978-3-031-51443-2 |
ISBN: |
9783031514432 |