ZB 15 - Modern Heterogenous Catalysis (J. Sa)

Seminar 10: Excited states (suggested literature)

Three papers that prove quite comprehensive introduction to TD-DFT

Seminar 10: Excited states (suggested literature) [ 4,695 kb ]

Introduction to practical quantum chemistry: Seminar 8 & 9

Part 9: Solvation models

Introduction to practical quantum chemistry: Seminar 8 & 9 [ 535 kb ]

Introduction to practical quantum chemistry: Seminar 7

Part 7 and 8: Vibrational analysis and transition state search

Introduction to practical quantum chemistry: Seminar 7 [ 851 kb ]

Introduction to practical quantum chemistry: Seminar 6

Part 6: Density Functional Theory (DFT)

Introduction to practical quantum chemistry: Seminar 6 [ 4,897 kb ]

Introduction to practical quantum chemistry: Seminar 5

Part 5: post-HF methods (CI, CC, MP2), first order properties

Introduction to practical quantum chemistry: Seminar 5 [ 937 kb ]

Introduction to practical quantum chemistry: Seminar 4

Part 4: post-HF methods and equilibrium distributions

Introduction to practical quantum chemistry: Seminar 4 [ 627 kb ]

Introduction to practical quantum chemistry: Seminar 3

Part 3: Hartree-Fock method and geometry optimisations

Introduction to practical quantum chemistry: Seminar 3 [ 387 kb ]

Introduction to practical quantum chemistry: Seminar 2

Part 2: Hartree-Fock method and basis sets

Introduction to practical quantum chemistry: Seminar 2 [ 394 kb ]

Introduction to practical quantum chemistry: Seminar 1

Part 1: Introduction

Introduction to practical quantum chemistry: Seminar 1 [ 2,079 kb ]

MoHCa group flyer (2015)

MoHCa group flyer (2015) [ 18,881 kb ]