Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.)
1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculation...
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| Language: | English |
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2020
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| Online Access: | http://repository.vnu.edu.vn/handle/VNU_123/92869 |
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oai:112.137.131.14:VNU_123-928692020-11-05T02:27:51Z Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) Lewars, Errol Hóa học. ; Toán học ; Hóa học - Xử lý dữ liệu. ; Chemistry. ; Chemistry -- Mathematics. ; Chemistry -- Data processing. 540.15 LEW 2016 1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index. 2020-08-31T03:51:15Z 2020-08-31T03:51:15Z 2016 Book 9783319309149 ; 9783319309163 http://repository.vnu.edu.vn/handle/VNU_123/92869 en © Springer International Publishing Switzerland 2016 739 p. application/pdf Springer |
| institution |
Vietnam National University, Hanoi |
| building |
VNU Library & Information Center |
| continent |
Asia |
| country |
Vietnam Vietnam |
| content_provider |
VNU Library and Information Center |
| collection |
VNU Digital Repository |
| language |
English |
| topic |
Hóa học. ; Toán học ; Hóa học - Xử lý dữ liệu. ; Chemistry. ; Chemistry -- Mathematics. ; Chemistry -- Data processing. 540.15 LEW 2016 |
| spellingShingle |
Hóa học. ; Toán học ; Hóa học - Xử lý dữ liệu. ; Chemistry. ; Chemistry -- Mathematics. ; Chemistry -- Data processing. 540.15 LEW 2016 Lewars, Errol Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| description |
1. An Outline of What Computational Chemistry is All About -- 2. The Concept of the Potential Energy Surface -- 3. Molecular Mechanics -- 4. Introduction to Quantum Mechanics in Computational Chemistry -- 5. Ab Initio Calculations -- 6. Semiempirical Calculations -- 7. Density Functional Calculations -- 8. Some “Special” Topics -- 9. Selected Literature Highlights, Books, Websites, Software and Hardware -- Suggested Answers to Harder Questions -- Index. |
| format |
Book |
| author |
Lewars, Errol |
| author_facet |
Lewars, Errol |
| author_sort |
Lewars, Errol |
| title |
Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| title_short |
Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| title_full |
Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| title_fullStr |
Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| title_full_unstemmed |
Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (Third edition.) |
| title_sort |
computational chemistry : introduction to the theory and applications of molecular and quantum mechanics. (third edition.) |
| publisher |
Springer |
| publishDate |
2020 |
| url |
http://repository.vnu.edu.vn/handle/VNU_123/92869 |
| _version_ |
1683409346003730432 |