compchemhighlights.org
Computational Chemistry Highlights: January 2015
http://www.compchemhighlights.org/2015_01_01_archive.html
Important recent papers in computational and theoretical chemistry. A free resource for scientists run by scientists. Tuesday, January 27, 2015. Construction of a Highly Distorted Benzene Ring in a Double Helicene. Hashimoto, S. Nakatsuka, S. Nakamura, M. Hatakeyama, T. Angew. Chem. Int. Ed. 2014, 53, 14074-14076. Contributed by Steven Bachrach. Reposted from Computational Organic Chemistry. And its x-ray crystal structure is reported. The compound exhibits C. The B3LYP/6-31G(d) structure of 1. B3LYP/6-3...
research.chem.ox.ac.uk
Rob Paton - Research Guides
http://research.chem.ox.ac.uk/rob-paton.aspx
Research Group Web Pages. OX1 3TA, U.K. T: 44 (0)1865 275465. E: robert.paton@chem.ox.ac.uk. Computational Organic Chemistry @ Oxford. The group's research interests focus on solving problems in organic and bio-organic chemistry using computational methods. Predictions and designs of new reactions, reagents, and catalysts are tested through our close collaborations with experimentalists. Please visit our. Computational Ligand Design in Enantio- and Diastereoselective Ynamide [5 2] Cycloisomerization.
catalysis.chem.ox.ac.uk
Directory of Expertise in Catalysis - Oxford Catalysis Network
http://catalysis.chem.ox.ac.uk/directory-of-experts.aspx
Directory of Expertise in Catalysis. Simon Aldridge ( Home Page. Research in the Aldridge group is focused on the structural and reaction chemistry of low-coordinate Transition Metal and Main Group systems. Specific projects targeting catalytic processes include the use of mixed Transition Metal / aluminium compounds in hydrogenation chemistry, especially with respect to Syngas conversion (in collaboration with BP); low-electron count rhodium and iridium N-heterocyclic carbene complexes in E-H bond a...
