Seminar Series of CATCO, 2015
March 16, 2015
Alan Humason: A Cost-Reducing Way of Cleaning Arsenic From Water Utilizing Quantum Chemistry
April 9, 2015
Dieter Cremer and Elfi Kraka: The Unified Reaction Valley Approach
Thomas Sexton: 1,3-Dipolar Cycloadditions
(Seminars on the occasion of the visit of A. Viege, University of Florida, Gainesville)
May 8, 2015
Dieter Cremer: Replacing the Local Mode Analysis in URVA by a Component Analysis
May 9, 2015
Dieter Cremer: How to get around Path Instability Problems
Thomas Sexton: How to use URVA for the Analysis of Pericyclic Reactions
May 10, 2015
Marek Freindorf and Elfi Kraka: Examples, Problems, and Pitfalls when using the URVA analysis
May 15, 2015
Dieter Cremer, Elfi Kraka and Dani Setiawan: Is the shorter bond always the stronger bond?
Seminar Series of CATCO, 2014
October 3, 2014
Dani Setiawan: Pnicogen Bonding: A new Type of Closed-shell Interactions Important for Material Science
November 5, 2014
Alan Humanson: Investigations into the Longest CC Bonds Observed in Chemistry
November 26, 2014
Thomas Sexton: Studies in Homogeneous Catalysis with the Unified Reaction Valley Approach
December 16, 2014
Dieter Cremer: The QM/MM Concept
Seminar Series of CATCO, 2013
February 1, 2013
Marek Freindorf: Mechanism of Rearrangement Reactions described with Coupled Cluster theory
February 8, 2013
Thomas Sexton: Investigation of Lewis-Acid Catalyzed Diels Alder Reactions with URVA – Experiences how to use charge distribution, second derivatives of internal coordinates and reaction path videos
February 15, 2013
Elfi Kraka: Consideration of the BSSE for highly-correlated methods: Inter- and intramolecular BSSE and the basis set completeness problem
February 22, 2013
Dieter Cremer: The Electron Localization Function of Becke and Edgecombe: Method and application possibilities
February 29, 2013
Rob Kalescky: H-bonding in the formic acid dimer – Analysis of the experimental vibrational spectrum in terms of local vibrational modes
March 8, 2013
Dieter Cremer: Spin-orbit coupling
March 22, 2013
Alan Humanson: Pancake bonds
April 5, 2013
Dieter Cremer: Use and misuse of BS-UDFT for the description of singlet biradicals
April 12, 2013
Elfi Kraka: Chemistry of the Enediynes
April 19, 2013
Thomas Sexton: Description of Catalytic Cycles by the Energetic Span Model
April 26, 2013
Dani Setiawan: Stability analysis of Hartree-Fock Wavefunctions
May 15, 2013
Thomas Sexton: The 4-phase mechanism of 1,3-dipolar cycloadditions
Specific CATCO-Presentation:
Dieter Cremer and Wenli Zou, Local Vibrational Modes: A new Tool to Describe the Electronic Structure of Molecules, SWTCC, Texas A&M, Friday, October 26, 2012. Click here to view the presentation.