Přednášky

VŠCHT, "Simulace vlastností molekul":

skripta.pdf

Questions (English)

osnova_actual.doc

PowerPoint Presentations (English, in development):

1 Introduction
2 Molecular Mechanics
3 Molecular Dynamics
4 Quantum Mechanics
5 Quantum Mechanics - Postulates
6 Quantum Mechanics - Computations
7 Quantum Chemistry
8_1 Perturbation Theory
8_2 Time-Dependent Perturbation Theory
9 Density FUnctional Theory
10 Maxwell Equations
__video
11 Vibrational Properties
__Vibrational Frequencies
__Vibrational Intensities
12 ROA CD and NMR Spectra
__Time-dependent density functional theory
13 IR VCD and Raman Spectra
(14) Magnetic Circular Dichroism
(15) Molecular Optical Activity
Tasks 1 2 3
Tasks 4 5 6
Task 7
Task 8
Task 9
Task 10
Task 11
Task 12

vi.doc - návod k vi editoru a několik Unixových příkazů

Anthem of theoretical chemistry