31st Jan 2014
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Matthew A. Addicoat, March 14, 2014

Theoretical Chemistry Colloquium March 14, 2014 (Fri), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery   Development of the systematic molecular fragmentation method based on DFTB Dr. Matthew A. Addicoat School of...

31st Jan 2014
Slide1

Nawee Kungwan

Theoretical Chemistry Colloquium February 4, 2013 (Tue), 14:00-15:00 RCMS, 2nd floor, Chemistry Gallery Quantum Chemical Studies of organic sensitizers with modified donor units for efficient dye-sensitized solar cells Dr. Nawee...

31st Jan 2014
Slide1

Klavs Hansen, February 4, 2013

Theoretical Chemistry Colloquium February 4, 2013 (Tue), 14:00-15:00 RCMS, 2nd floor, Chemistry Gallery Radiative Cooling of Carbon Cluster Prof. Klavs Hansen University of Gothenburg Department of Physics SE-412 96 Göteborg,...

24th Jan 2014
Quantum Chemical Simulations Reveal Acetylene-Based Growth Mechanisms in the Chemical Vapor Deposition Synthesis of Carbon Nanotubes

Quantum Chemical Simulations Reveal Acetylene-Based Growth Mechanisms in the Chemical Vapor Deposition Synthesis of Carbon Nanotubes

Ying Wanga ,Xingfa Gao, Hu-Jun Qian, Yasuhito Ohta, Xiaona Wu, Gyula Eres, Keiji Morokuma, Stephan Irle Carbon, Accepted Manuscript DOI: 10.1016/j.carbon.2014.01.020 Available online 24 January 2014 Nonequilibrium quantum chemical molecular...

23rd Jan 2014
Hybridization of a Flexible Cyclooctatetraene Core and Rigid Aceneimide Wings for Multiluminescent Flapping π Systems

Hybridization of a Flexible Cyclooctatetraene Core and Rigid Aceneimide Wings for Multiluminescent Flapping π Systems

Chunxue Yuan, Shohei Saito, Cristopher Camacho, Tim Kowalczyk, Stephan Irle*, Prof. Dr. Shigehiro Yamaguchi* Chem. Eur. J., 2014, 20,1–9 DOI: 10.1002/chem.201303955 Article first published online: 23 JAN 2014 The hybridization of...