0
Skip to Content
Guanqi Qiu Group
Research
Team
Publications
Presentations
Openings
Guanqi Qiu Group
Research
Team
Publications
Presentations
Openings
Research
Team
Publications
Presentations
Openings

Seminars

  • Hydrogen Bonds to Gold – Fact or Fiction?
    Eduardo García-Padilla. Nov 29, 2024

  • PRESENTATION OF MEASUREMENT RESULTS: STATISTICS, SIGNIFICANT DIGITS, UNIT OF MEASUREMENT

    Flóra Barasits. Sep 13, 2024

  • Conformations & Reactivity of Macrocycles.

    Samiran Deb. Jun 9, 2024

Computational Workshop

by Nilangshu Mandal and Eduardo García-Padilla

  1. Introduction to ORCA for Organic Reaction Mechanisms

  2. Introduction to ORCA for Organic Reaction Mechanisms Part II

  3. Transition-State Search and Reaction Coordinate Analysis

  4. Implicit Solvation Models

  5. Local Energy Decomposition

  6. Removing Low Imaginary Frequency in Minima and Saddle Points

  7. Conformational Search

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany