Download - Taller de Química Computacional
Transcript
![Page 1: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/1.jpg)
![Page 2: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/2.jpg)
![Page 3: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/3.jpg)
![Page 4: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/4.jpg)
![Page 5: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/5.jpg)
Erwin Schrödinger(1887-1961)
Werner Heisemberg(1901-1976)
![Page 6: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/6.jpg)
Erwin Schrödinger(1887-1961)
Werner Heisemberg(1901-1976)
![Page 7: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/7.jpg)
![Page 8: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/8.jpg)
![Page 9: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/9.jpg)
donde es una variable ajustable y a0 es el radio de Bohr igual a 0.53A. N es una constante de normalización.
(1900-1976)
![Page 10: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/10.jpg)
A. Szabo, N. Ostlund, “Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory” Editorial Dover
![Page 11: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/11.jpg)
http://emls.bse.gov
![Page 12: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/12.jpg)
http://emls.bse.gov
![Page 13: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/13.jpg)
![Page 14: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/14.jpg)
![Page 15: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/15.jpg)
![Page 16: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/16.jpg)
Jan Jensen, “Molecular Modeling Basics” CRC Press Taylor & Francis Group (2010)
![Page 17: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/17.jpg)
![Page 18: Taller de Química Computacional](https://reader035.vdocuments.site/reader035/viewer/2022081507/554ccc40b4c905a5208b4f3d/html5/thumbnails/18.jpg)